data_2d99_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 2d99 _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 ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 76' ' ' ILE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 32' ' ' LEU . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 55' ' ' PHE . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 65' ' ' ALA . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' HD23 ' A' ' 38' ' ' LEU . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG1' ' HG3' ' A' ' 50' ' ' PRO . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 55' ' ' PHE . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG22 ' CD1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.564 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 61' ' ' TYR . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.469 ' CE1' ' CG ' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.469 ' CG ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 19' ' ' LEU . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.4 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CE1' HD22 ' A' ' 32' ' ' LEU . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.456 HD22 ' CE2' ' A' ' 55' ' ' PHE . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.559 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.528 HD11 ' CD2' ' A' ' 61' ' ' TYR . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.434 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 19' ' ' LEU . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 7.6 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.498 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.593 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD21 ' A' ' 32' ' ' LEU . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.593 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 55' ' ' PHE . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 61' ' ' TYR . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 58' ' ' PRO . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD22 ' A' ' 32' ' ' LEU . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 55' ' ' PHE . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 65' ' ' ALA . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE2' HD21 ' A' ' 38' ' ' LEU . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.42 ' C ' ' HG3' ' A' ' 9' ' ' ARG . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.558 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 61' ' ' TYR . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.509 ' CE1' ' CG ' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.509 ' CG ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 76' ' ' ILE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.522 HD22 ' CE2' ' A' ' 55' ' ' PHE . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' HD11 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' CB ' ' A' ' 65' ' ' ALA . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CE2' HD22 ' A' ' 38' ' ' LEU . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.481 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.567 HD12 ' CD2' ' A' ' 61' ' ' TYR . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 19' ' ' LEU . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 9' ' ' ARG . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.465 ' CE1' HD22 ' A' ' 32' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 55' ' ' PHE . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 72' ' ' HIS . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 65' ' ' ALA . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG23 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.562 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD2' HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 61' ' ' TYR . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CE1' HD11 ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.2 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.502 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.466 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 55' ' ' PHE . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 65' ' ' ALA . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.404 ' CD ' ' HD3' ' A' ' 57' ' ' ARG . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.49 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 61' ' ' TYR . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.8 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.421 ' N ' HD11 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.496 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.405 ' O ' ' CZ ' ' A' ' 78' ' ' PHE . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CE2' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 55' ' ' PHE . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 52' ' ' GLY . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG22 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.562 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.481 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 61' ' ' TYR . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 16' ' ' PHE . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.454 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.9 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.435 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CE2' ' CG2' ' A' ' 12' ' ' VAL . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CE1' HD23 ' A' ' 32' ' ' LEU . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 65' ' ' ALA . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.454 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.487 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' SER . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.481 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.436 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE1' HD23 ' A' ' 32' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.614 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 65' ' ' ALA . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.553 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.497 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 61' ' ' TYR . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 50' ' ' PRO . 89.9 m-70 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.477 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.6 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 55' ' ' PHE . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 55' ' ' PHE . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.423 HD11 ' CB ' ' A' ' 65' ' ' ALA . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 38' ' ' LEU . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.46 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.41 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.423 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 55' ' ' PHE . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 65' ' ' ALA . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 6.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 9' ' ' ARG . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD23 ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 55' ' ' PHE . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 65' ' ' ALA . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 38' ' ' LEU . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.554 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.4 ' CG ' HD21 ' A' ' 8' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 61' ' ' TYR . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.8 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 76' ' ' ILE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.6 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 55' ' ' PHE . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' HD11 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.536 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.6 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.592 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.1 m-70 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 19' ' ' LEU . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.452 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 24' ' ' LEU . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.522 HD13 ' CZ ' ' A' ' 20' ' ' TYR . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CE1' HD23 ' A' ' 32' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HD23 ' A' ' 38' ' ' LEU . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.442 ' CD2' HG13 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.479 ' CG1' ' HG3' ' A' ' 50' ' ' PRO . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.477 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.404 ' N ' HD21 ' A' ' 70' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.535 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.6 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 32' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.6 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' HG22 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.539 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.619 ' O ' ' N ' ' A' ' 73' ' ' SER . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.4 m-70 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.476 ' NE2' ' NE ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' NE ' ' NE2' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.544 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.0 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.501 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' GLU . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' VAL . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 20' ' ' TYR . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 38' ' ' LEU . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 HD12 ' CD2' ' A' ' 61' ' ' TYR . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.8 m-70 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' ILE . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 75' ' ' ARG . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 7.4 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.503 ' OD2' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' GLU . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 18' ' ' VAL . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.503 ' CG1' ' OD2' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.534 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 55' ' ' PHE . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 65' ' ' ALA . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CD2' ' A' ' 61' ' ' TYR . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' SER . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 70' ' ' LEU . 8.4 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.639 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.474 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 15' ' ' VAL . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' CE2' ' A' ' 55' ' ' PHE . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD11 ' CD ' ' A' ' 81' ' ' LYS . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 49' ' ' LEU . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' CG1' ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 38' ' ' LEU . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.465 ' HE1' ' CD1' ' A' ' 8' ' ' LEU . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 61' ' ' TYR . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 8' ' ' LEU . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -131.66 161.3 33.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -164.93 110.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 173.97 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.97 78.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 0.812 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.5 103.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' MET . . . -163.84 131.14 2.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt -51.58 -55.28 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 ' CD1' HG23 ' A' ' 76' ' ' ILE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE1' HD21 ' A' ' 32' ' ' LEU . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD23 ' CE2' ' A' ' 55' ' ' PHE . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.468 ' CD2' HD12 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.54 HG23 ' CD1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.473 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 65' ' ' ALA . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.544 ' CE2' HD23 ' A' ' 38' ' ' LEU . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.453 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.474 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.5 ' CD2' ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.473 ' CG1' ' HG3' ' A' ' 50' ' ' PRO . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.92 -26.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 139.84 25.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.94 34.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.01 81.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.888 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 p -91.19 136.57 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.55 111.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.581 1.176 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.15 32.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.427 1.751 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -57.4 -59.23 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -166.59 -58.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 59.97 98.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 175.11 120.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.9 138.69 6.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -133.6 -61.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.67 111.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.65 121.62 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.7 mt -65.13 -59.83 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.583 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD21 ' CE2' ' A' ' 55' ' ' PHE . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG22 ' CD1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.557 HD23 ' CD1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG22 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.557 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.564 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.471 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.49 HD12 ' CD2' ' A' ' 61' ' ' TYR . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.469 ' CE1' ' CG ' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' CG ' ' CE1' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 19' ' ' LEU . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.437 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.33 -25.27 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -107.38 131.25 21.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 t -165.79 110.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -158.87 146.26 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.046 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.52 156.09 16.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.4 35.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.494 1.786 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -168.88 -63.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m 53.15 102.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -163.7 140.1 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -134.57 92.68 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 119.87 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 134.72 12.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 0.71 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.57 162.09 13.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.09 170.09 12.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.4 mt -94.41 -56.28 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.439 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 20' ' ' TYR . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CE1' HD22 ' A' ' 32' ' ' LEU . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.456 HD22 ' CE2' ' A' ' 55' ' ' PHE . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.493 HD21 ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' CD1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.513 ' CD1' HG22 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.559 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 ' CD2' HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.528 HD11 ' CD2' ' A' ' 61' ' ' TYR . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.466 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.503 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.434 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG22 ' CD1' ' A' ' 19' ' ' LEU . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.447 ' CE1' HD12 ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -48.39 143.41 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -153.37 143.52 15.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 88.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.065 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -169.61 136.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.55 -144.64 3.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -100.73 99.2 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -66.0 114.24 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.6 169.6 22.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -135.71 160.03 39.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 149.88 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -163.26 99.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -139.82 -67.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 164.54 44.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 7.6 mt -77.82 -57.08 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.498 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.459 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.593 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD21 ' A' ' 32' ' ' LEU . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.593 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 HD22 ' CE2' ' A' ' 55' ' ' PHE . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.481 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.47 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.546 HD13 ' CD2' ' A' ' 61' ' ' TYR . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 75' ' ' ARG . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.475 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.13 -27.09 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.3 ttt180 -99.59 131.5 24.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.394 1.733 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.88 179.63 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -136.5 157.07 47.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 133.7 1.55 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.42 27.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 160.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.5 m -120.13 119.69 34.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.408 1.068 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p 45.44 93.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 0.811 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -145.43 164.36 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 114.33 0.7 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 -170.21 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 0.823 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -141.26 173.38 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 172.41 23.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt -94.24 -54.49 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' HG3' ' C ' ' A' ' 58' ' ' PRO . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.439 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD22 ' A' ' 32' ' ' LEU . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.602 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 55' ' ' PHE . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.457 ' CD2' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.429 HG23 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 65' ' ' ALA . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE2' HD21 ' A' ' 38' ' ' LEU . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' NH2' ' HB3' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.42 ' C ' ' HG3' ' A' ' 9' ' ' ARG . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.558 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG13 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.473 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 61' ' ' TYR . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.509 ' CE1' ' CG ' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.509 ' CG ' ' CE1' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.448 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -52.42 -60.19 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -77.29 156.86 81.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.065 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 129.8 12.75 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.27 156.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.17 -58.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.99 99.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.43 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.77 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.8 p -175.06 132.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.95 108.62 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.4 85.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 56.95 103.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.71 -145.37 12.84 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.939 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -139.52 169.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.09 156.26 10.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt -71.06 -57.39 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 0.705 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 76' ' ' ILE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.483 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.485 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.522 HD22 ' CE2' ' A' ' 55' ' ' PHE . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' HD11 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.48 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.481 HD12 ' CB ' ' A' ' 65' ' ' ALA . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' CE2' HD22 ' A' ' 38' ' ' LEU . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.571 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.481 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD2' HG12 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.567 HD12 ' CD2' ' A' ' 61' ' ' TYR . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.469 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 19' ' ' LEU . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 141.36 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.58 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.88 10.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.445 1.761 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 p -174.47 95.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.5 p -57.75 171.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.1 -178.5 25.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.34 11.37 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -155.85 -60.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.8 t -59.78 136.76 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -177.77 147.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.907 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -139.73 -59.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.07 137.75 5.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -158.49 162.68 37.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.46 170.93 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 151.36 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.5 mt -62.28 -56.27 20.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 0.804 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 9' ' ' ARG . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' CE1' HD22 ' A' ' 32' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD21 ' CE2' ' A' ' 55' ' ' PHE . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 72' ' ' HIS . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.476 HD12 ' CB ' ' A' ' 65' ' ' ALA . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG23 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.562 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.476 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' CD2' HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.479 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.563 HD11 ' CD2' ' A' ' 61' ' ' TYR . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 75' ' ' ARG . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' CE1' HD11 ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -52.68 -24.22 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.87 153.1 79.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.42 16.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.7 p -178.89 164.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -92.62 171.52 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.01 85.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.12 4.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.89 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.5 100.48 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -179.09 170.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.09 124.28 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.67 -111.4 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m 65.03 129.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 0.804 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -169.43 98.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 143.19 139.7 3.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.2 mt -53.65 -56.53 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.502 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.466 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.404 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.403 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.453 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.579 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.598 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.576 HD21 ' CD2' ' A' ' 55' ' ' PHE . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.461 HD21 ' CD1' ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.45 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.471 HD12 ' CB ' ' A' ' 65' ' ' ALA . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.576 ' CD2' HD21 ' A' ' 38' ' ' LEU . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.404 ' CD ' ' HD3' ' A' ' 57' ' ' ARG . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.467 ' HB1' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.471 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' HG12 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.49 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.565 HD12 ' CD2' ' A' ' 61' ' ' TYR . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 140.99 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -133.67 131.84 21.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.42 -54.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.57 -63.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.36 83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 178.98 6.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.59 119.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 p -109.47 154.01 23.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 104.19 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -125.5 127.63 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.07 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 178.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -111.99 117.13 31.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.99 160.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . -152.47 174.66 31.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.8 mt -94.79 -59.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' N ' HD11 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.496 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG12 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.405 ' O ' ' CZ ' ' A' ' 78' ' ' PHE . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.493 ' CE2' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.57 ' CE1' HD22 ' A' ' 32' ' ' LEU . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 HD21 ' CE2' ' A' ' 55' ' ' PHE . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.454 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 52' ' ' GLY . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG22 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.562 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.481 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 61' ' ' TYR . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.483 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.405 ' CZ ' ' O ' ' A' ' 16' ' ' PHE . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.23 166.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -42.7 147.17 0.65 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.74 42.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.23 135.53 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -67.11 136.85 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.4 -162.52 35.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.32 10.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.7 t -127.79 127.87 44.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.09 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.1 m -156.22 110.22 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 0.72 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 66.61 -71.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 162.21 121.04 0.55 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 138.79 18.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -153.28 149.73 28.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 131.17 135.37 3.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.9 mt -56.57 -55.42 34.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.435 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 HG13 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.414 ' CE2' ' CG2' ' A' ' 12' ' ' VAL . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.432 ' CD1' HG21 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.569 ' CE1' HD23 ' A' ' 32' ' ' LEU . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.468 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.454 HD12 ' CB ' ' A' ' 65' ' ' ALA . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.463 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.435 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.454 ' CB ' HD12 ' A' ' 53' ' ' LEU . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' CD2' HG13 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.487 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' SER . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.481 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.436 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 2.5 tttt -79.32 -89.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.4 mtm180 -37.87 151.41 0.16 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m 62.13 135.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m 58.39 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.6 -163.62 10.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 p 179.85 142.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 117.73 31.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -106.94 104.84 14.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -114.2 118.69 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.18 82.63 1.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -147.75 152.99 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 0.744 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -146.78 150.82 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 139.79 130.83 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.2 mt -56.64 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.476 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CE1' HD23 ' A' ' 32' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.589 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.428 ' CD1' ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.421 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG22 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.614 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.409 HD13 ' CB ' ' A' ' 65' ' ' ALA . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG22 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.509 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.553 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.497 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.509 HD12 ' CD2' ' A' ' 61' ' ' TYR . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.49 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.614 ' CD2' ' HB3' ' A' ' 50' ' ' PRO . 89.9 m-70 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.477 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 149.47 77.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 119.4 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -58.93 140.88 54.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 t -77.98 -48.38 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.1 100.49 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 159.03 42.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' SER . 13.0 t -79.23 143.93 34.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.945 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 88' ' ' SER . 24.1 m 58.02 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.07 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.26 116.73 5.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.132 . . . . 0.0 110.059 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 98.16 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -155.07 110.12 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m 61.27 160.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.29 104.43 2.94 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.524 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 7.6 mt -74.86 -62.03 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.587 0.816 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.478 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG12 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.472 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.472 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD23 ' CE2' ' A' ' 55' ' ' PHE . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.467 HD22 ' CD1' ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 55' ' ' PHE . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.423 HD11 ' CB ' ' A' ' 65' ' ' ALA . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE2' HD23 ' A' ' 38' ' ' LEU . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.46 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.405 ' HA ' ' HG3' ' A' ' 9' ' ' ARG . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.41 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.423 ' CB ' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' CD2' HG12 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.475 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 73' ' ' SER . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.524 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.413 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 134.66 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.58 155.71 9.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.12 11.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -55.39 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.15 88.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.052 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.59 172.3 15.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 137.92 22.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 p -151.94 -48.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.89 -173.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.419 1.075 . . . . 0.0 110.97 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m 44.44 83.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 109.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.4 9.17 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p 175.64 -45.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -86.05 141.38 29.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.77 176.85 34.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 9.4 mt -94.43 -55.28 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.493 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.431 HG12 ' CD2' ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.463 ' HB3' ' CD1' ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.54 HD22 ' CE2' ' A' ' 55' ' ' PHE . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' CB ' ' A' ' 65' ' ' ALA . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.453 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.468 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.449 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.477 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.408 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 135.4 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 137.54 6.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.15 5.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -111.48 168.71 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.5 p -112.68 84.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.43 94.08 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.3 92.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.59 108.83 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.56 108.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.44 121.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.058 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.93 -83.39 1.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t 58.57 159.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.96 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -75.01 -179.32 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 112.75 118.85 3.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 6.3 mt -53.11 -49.81 65.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.219 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.519 ' CD ' ' HA ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.471 ' HE2' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.475 HG11 ' O ' ' A' ' 9' ' ' ARG . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.462 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.56 ' CE1' HD23 ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD22 ' CE2' ' A' ' 55' ' ' PHE . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.413 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.464 HG23 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 HD12 ' CB ' ' A' ' 65' ' ' ALA . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.545 ' CE2' HD22 ' A' ' 38' ' ' LEU . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.519 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CD2' HD13 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.554 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' CB ' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD1' ' HD3' ' A' ' 9' ' ' ARG . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.4 ' CG ' HD21 ' A' ' 8' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.572 HD13 ' CD2' ' A' ' 61' ' ' TYR . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.468 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.434 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -61.9 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 153.61 39.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -104.13 152.77 21.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.79 161.21 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.33 92.84 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.047 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.74 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -146.12 135.81 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.4 141.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -158.18 169.36 24.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -102.81 165.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.61 -99.4 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 63.36 140.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.76 171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . 76.5 147.61 2.32 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.486 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.8 mt -94.32 -57.87 2.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.458 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG13 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD1' HG21 ' A' ' 76' ' ' ILE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.518 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.597 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.6 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.597 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.529 HD21 ' CE2' ' A' ' 55' ' ' PHE . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.474 ' CD2' HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.41 ' N ' HD11 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD23 ' CD1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.536 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.6 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CD1' HD23 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' CD2' HG13 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.486 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.592 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 73' ' ' SER . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.1 m-70 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 HG21 ' CD1' ' A' ' 19' ' ' LEU . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 174.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.88 134.34 1.04 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 157.8 42.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.416 1.746 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t 179.61 80.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.34 148.84 6.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.83 3.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 -58.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.81 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.82 165.47 30.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m 64.27 148.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.84 -141.86 7.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 167.94 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -92.69 176.52 6.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 115.03 120.8 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.3 mt -51.33 -55.93 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.452 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.442 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' HB3' ' CD1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.522 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 24' ' ' LEU . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.522 HD13 ' CZ ' ' A' ' 20' ' ' TYR . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.469 ' O ' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.561 ' CE1' HD23 ' A' ' 32' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.47 HG22 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.479 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.402 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.407 HD22 ' CD1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CE2' HD23 ' A' ' 38' ' ' LEU . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.404 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.436 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.442 ' CD2' HG13 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.468 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.479 ' CG1' ' HG3' ' A' ' 50' ' ' PRO . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' N ' ' C ' ' A' ' 73' ' ' SER . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.49 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 141.82 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 58.83 167.98 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.566 1.824 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.1 165.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -136.37 146.53 46.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.063 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.62 123.34 0.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.61 38.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 140.11 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.0 m 41.44 82.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 73.15 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.99 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.39 154.64 39.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 -166.79 12.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -177.64 132.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 m 60.25 166.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 82.81 110.74 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.4 mt -52.31 -54.5 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.477 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' N ' HD21 ' A' ' 70' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' CB ' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.535 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.6 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 32' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.6 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD1' ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.559 HG22 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.559 ' CD1' HG22 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.419 ' CE2' HD12 ' A' ' 69' ' ' ILE . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.539 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.472 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.619 ' O ' ' N ' ' A' ' 73' ' ' SER . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.477 HD21 ' CB ' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 9.4 m-70 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.476 ' NE2' ' NE ' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' NE ' ' NE2' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.544 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -51.51 -51.89 51.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 153.19 44.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.22 31.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.14 140.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.0 m -131.27 153.71 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 25' ' ' GLY . . . -140.76 169.21 24.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.38 17.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -84.8 142.66 29.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -157.1 150.89 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.585 1.178 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.32 103.52 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.94 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 67.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 55.59 102.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -175.22 93.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 110.94 128.43 5.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.415 1.072 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 10.0 mt -55.21 -56.94 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.501 ' CB ' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 14' ' ' GLU . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' VAL . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.51 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.51 HD13 ' CZ ' ' A' ' 20' ' ' TYR . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.588 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.504 HD21 ' CE2' ' A' ' 55' ' ' PHE . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' CD2' HD11 ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.466 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.406 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.477 HD21 ' CD1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.504 ' CE2' HD21 ' A' ' 38' ' ' LEU . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.511 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.484 ' CD2' HD12 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.491 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 HD12 ' CD2' ' A' ' 61' ' ' TYR . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 HD21 ' CB ' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.8 m-70 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 76' ' ' ILE . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.416 ' C ' ' O ' ' A' ' 75' ' ' ARG . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -47.45 142.62 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.53 164.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 121.39 6.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.596 1.84 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -178.63 134.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -151.8 165.81 33.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.89 -96.37 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -178.77 4.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.9 t 60.59 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.23 98.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 111.034 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.27 111.47 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 131.17 41.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 129.03 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -106.66 127.57 53.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 108.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.09 174.9 20.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 7.4 mt -92.15 -55.65 3.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.513 ' CZ ' ' OE2' ' A' ' 13' ' ' GLU . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG11 ' CD2' ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.503 ' OD2' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.488 ' N ' ' O ' ' A' ' 14' ' ' GLU . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 18' ' ' VAL . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.528 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.503 ' CG1' ' OD2' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.534 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.596 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 HD21 ' CE2' ' A' ' 55' ' ' PHE . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' N ' HD13 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.474 HG23 ' CD1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 65' ' ' ALA . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' CD1' HG23 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.513 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.486 ' CD2' HD11 ' A' ' 69' ' ' ILE . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.465 ' CB ' HD13 ' A' ' 53' ' ' LEU . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.486 HD11 ' CD2' ' A' ' 61' ' ' TYR . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.447 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 73' ' ' SER . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' CD2' ' HA ' ' A' ' 20' ' ' TYR . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -80.38 -89.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -43.67 167.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 p -178.33 112.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -148.38 160.41 43.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.85 6.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.41 6.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -166.42 148.55 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -131.96 93.32 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 132.58 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -177.92 142.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 -116.41 2.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m 67.07 121.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -148.1 128.56 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 123.52 134.28 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD21 ' CD1' ' A' ' 70' ' ' LEU . 8.4 mt -47.74 -55.4 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.476 HG13 ' CD2' ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.639 ' OD1' ' C ' ' A' ' 17' ' ' ASP . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.474 ' N ' ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 15' ' ' VAL . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD12 ' CZ ' ' A' ' 20' ' ' TYR . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.591 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD22 ' CE2' ' A' ' 55' ' ' PHE . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD11 ' CD ' ' A' ' 81' ' ' LYS . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' CD1' ' O ' ' A' ' 79' ' ' LYS . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.431 ' CG1' HD12 ' A' ' 49' ' ' LEU . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD12 ' CG1' ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.433 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.518 ' CE2' HD22 ' A' ' 38' ' ' LEU . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.406 ' O ' ' HG3' ' A' ' 9' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HD21 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.476 ' CD2' HG13 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.465 ' HE1' ' CD1' ' A' ' 8' ' ' LEU . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 61' ' ' TYR . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD21 ' A' ' 8' ' ' LEU . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CG1' ' HA ' ' A' ' 73' ' ' SER . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.446 ' CD ' HD11 ' A' ' 43' ' ' LEU . 0.7 OUTLIER -53.11 -21.01 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 145.0 30.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -31.56 6.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -63.27 120.63 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.5 p -170.53 141.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.4 76.96 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.427 1.08 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.43 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 t -48.9 149.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.38 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.956 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 34' ' ' TYR . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 81' ' ' LYS . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.956 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.991 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.721 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 69' ' ' ILE . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 80' ' ' LEU . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 66' ' ' LEU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.052 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.805 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.955 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.669 ' OE2' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 ' OE2' ' A' ' 40' ' ' GLU . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.955 HD23 HD13 ' A' ' 37' ' ' LEU . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.549 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.652 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.701 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.701 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.052 HD22 HG11 ' A' ' 12' ' ' VAL . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG3' HD11 ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.648 ' CD1' HG23 ' A' ' 69' ' ' ILE . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.592 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.078 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 34' ' ' TYR . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HD3' ' A' ' 50' ' ' PRO . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.528 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.078 HD22 HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' LEU . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.592 HD13 ' CE ' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG23 ' A' ' 69' ' ' ILE . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.5 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.748 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.671 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 66' ' ' LEU . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.455 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG23 ' A' ' 69' ' ' ILE . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 66' ' ' LEU . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' MET . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.84 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' OH ' ' CD2' ' A' ' 16' ' ' PHE . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.906 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.906 HD23 HD13 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.809 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.593 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.539 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.667 HD11 HG23 ' A' ' 69' ' ' ILE . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.0 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.854 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB3' HD11 ' A' ' 38' ' ' LEU . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.871 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.591 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.591 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.51 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.872 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.525 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.1 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' MET . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.63 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.835 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 44' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 50' ' ' PRO . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.89 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.782 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.872 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.1 HD22 HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 66' ' ' LEU . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.725 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 59' ' ' ALA . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD22 ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.075 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.715 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.871 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 37' ' ' LEU . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.9 HD23 HD13 ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.905 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.905 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.075 HD22 HG11 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 66' ' ' LEU . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.715 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.033 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD12 ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.926 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.596 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.926 HD23 HD13 ' A' ' 37' ' ' LEU . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.033 HD22 HG11 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.548 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.53 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.9 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.094 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.884 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 34' ' ' TYR . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.884 HD23 HD13 ' A' ' 37' ' ' LEU . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG12 ' HG ' ' A' ' 49' ' ' LEU . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.601 ' HG ' HG12 ' A' ' 46' ' ' VAL . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.708 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.094 HD22 HG11 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.575 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' A' ' 19' ' ' LEU . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 66' ' ' LEU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.097 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.697 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' OG ' ' A' ' 21' ' ' SER . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 44' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.586 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 37' ' ' LEU . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.569 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.704 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.097 HD22 HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.768 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 67' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 72.4 m80 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.697 HG22 ' CD1' ' A' ' 19' ' ' LEU . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.48 ' O ' HD12 ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.99 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 81' ' ' LYS . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.99 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 49' ' ' LEU . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 46' ' ' VAL . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.853 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.853 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 19' ' ' LEU . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 44' ' ' LEU . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' HB3' HD11 ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.991 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 34' ' ' TYR . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.773 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.773 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.671 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.734 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.734 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' CD1' ' A' ' 19' ' ' LEU . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 44' ' ' LEU . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 12' ' ' VAL . 6.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.603 ' HD3' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.945 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' MET . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.65 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.77 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.92 HD13 HD23 ' A' ' 44' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 34' ' ' TYR . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.92 HD23 HD13 ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.622 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.637 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.945 HD22 HG11 ' A' ' 12' ' ' VAL . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 70' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' HD23 ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.591 HD11 HG23 ' A' ' 69' ' ' ILE . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.771 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.56 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.129 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.952 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.713 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.129 HD22 HG11 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.526 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD13 ' CE ' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 44' ' ' LEU . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.137 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' MET . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.958 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.876 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.876 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.137 HD22 HG11 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.679 HD11 HG23 ' A' ' 69' ' ' ILE . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.97 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.576 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' OG ' ' A' ' 21' ' ' SER . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.837 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.553 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.929 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.941 ' OE2' HD22 ' A' ' 43' ' ' LEU . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD22 ' OE2' ' A' ' 40' ' ' GLU . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD23 HD13 ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG21 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.966 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.795 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.761 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.761 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.97 HD22 HG11 ' A' ' 12' ' ' VAL . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 66' ' ' LEU . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.73 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 m80 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.0 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.654 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.05 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.623 ' HB3' HD23 ' A' ' 32' ' ' LEU . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' OD1' ' A' ' 17' ' ' ASP . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 80' ' ' LEU . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.823 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.925 ' CD1' HD23 ' A' ' 44' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 34' ' ' TYR . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' HD3' ' A' ' 9' ' ' ARG . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.749 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.05 HD22 HG11 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 66' ' ' LEU . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.7 m80 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 69' ' ' ILE . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.4 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.827 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.697 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG23 ' OD1' ' A' ' 17' ' ' ASP . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 38' ' ' LEU . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.858 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 34' ' ' TYR . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD23 ' CD1' ' A' ' 37' ' ' LEU . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.619 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.563 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.509 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 69' ' ' ILE . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.053 HG11 HD22 ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' MET . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.674 ' OD1' HG23 ' A' ' 18' ' ' VAL . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG23 ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 24' ' ' LEU . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 34' ' ' TYR . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.913 ' OE2' HD22 ' A' ' 43' ' ' LEU . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.913 HD22 ' OE2' ' A' ' 40' ' ' GLU . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 37' ' ' LEU . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.772 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.053 HD22 HG11 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.844 HG23 HD11 ' A' ' 76' ' ' ILE . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 69' ' ' ILE . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.546 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -131.66 161.3 33.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -164.93 110.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 173.97 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.97 78.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 0.812 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.5 103.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' MET . . . -163.84 131.14 2.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt -51.58 -55.28 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.956 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 34' ' ' TYR . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 81' ' ' LYS . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.956 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.991 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.721 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 69' ' ' ILE . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 80' ' ' LEU . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.92 -26.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 139.84 25.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.94 34.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.01 81.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.888 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 p -91.19 136.57 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.55 111.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.581 1.176 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.15 32.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.427 1.751 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -57.4 -59.23 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -166.59 -58.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 59.97 98.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 175.11 120.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.9 138.69 6.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -133.6 -61.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.67 111.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.65 121.62 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.7 mt -65.13 -59.83 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 66' ' ' LEU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.052 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.805 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.955 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' OE2' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 ' OE2' ' A' ' 40' ' ' GLU . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.955 HD23 HD13 ' A' ' 37' ' ' LEU . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.549 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.652 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.701 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.701 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.052 HD22 HG11 ' A' ' 12' ' ' VAL . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG3' HD11 ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.648 ' CD1' HG23 ' A' ' 69' ' ' ILE . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.33 -25.27 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -107.38 131.25 21.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 t -165.79 110.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -158.87 146.26 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.046 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.52 156.09 16.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.4 35.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.494 1.786 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -168.88 -63.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m 53.15 102.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -163.7 140.1 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -134.57 92.68 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 119.87 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 134.72 12.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 0.71 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.57 162.09 13.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.09 170.09 12.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt -94.41 -56.28 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.592 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.078 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 34' ' ' TYR . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HD3' ' A' ' 50' ' ' PRO . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.528 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.078 HD22 HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' LEU . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD13 ' CE ' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.621 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.621 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG23 ' A' ' 69' ' ' ILE . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -48.39 143.41 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -153.37 143.52 15.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 88.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.065 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -169.61 136.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.55 -144.64 3.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -100.73 99.2 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -66.0 114.24 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.6 169.6 22.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -135.71 160.03 39.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 149.88 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -163.26 99.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -139.82 -67.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 164.54 44.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt -77.82 -57.08 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.5 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.748 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.671 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 66' ' ' LEU . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.455 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG23 ' A' ' 69' ' ' ILE . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -56.13 -27.09 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 81' ' ' LYS . 5.3 ttt180 -99.59 131.5 24.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.394 1.733 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.88 179.63 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -136.5 157.07 47.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 133.7 1.55 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.42 27.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 160.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.5 m -120.13 119.69 34.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.408 1.068 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p 45.44 93.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 0.811 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -145.43 164.36 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 114.33 0.7 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 -170.21 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 0.823 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -141.26 173.38 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 172.41 23.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt -94.24 -54.49 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 66' ' ' LEU . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' MET . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.84 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' OH ' ' CD2' ' A' ' 16' ' ' PHE . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.906 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.906 HD23 HD13 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.809 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.593 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.539 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.667 HD11 HG23 ' A' ' 69' ' ' ILE . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -52.42 -60.19 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -77.29 156.86 81.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.065 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 129.8 12.75 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.27 156.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.17 -58.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.99 99.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.43 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.77 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.8 p -175.06 132.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.95 108.62 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.4 85.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 56.95 103.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.71 -145.37 12.84 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.939 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -139.52 169.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.09 156.26 10.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.0 mt -71.06 -57.39 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 0.705 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.854 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB3' HD11 ' A' ' 38' ' ' LEU . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.871 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.591 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.591 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.51 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 141.36 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.58 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.88 10.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.445 1.761 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 p -174.47 95.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.5 p -57.75 171.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.1 -178.5 25.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.34 11.37 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -155.85 -60.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.8 t -59.78 136.76 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -177.77 147.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.907 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -139.73 -59.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.07 137.75 5.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -158.49 162.68 37.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.46 170.93 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 151.36 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.5 mt -62.28 -56.27 20.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 0.804 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.872 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.525 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.1 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' MET . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.63 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.835 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 44' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 50' ' ' PRO . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.89 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.782 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.872 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.1 HD22 HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 66' ' ' LEU . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.725 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -52.68 -24.22 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.87 153.1 79.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.42 16.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.7 p -178.89 164.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -92.62 171.52 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.01 85.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.12 4.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.89 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.5 100.48 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -179.09 170.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.09 124.28 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.67 -111.4 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m 65.03 129.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 0.804 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -169.43 98.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 143.19 139.7 3.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt -53.65 -56.53 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 59' ' ' ALA . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD22 ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.075 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.715 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.871 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 37' ' ' LEU . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.9 HD23 HD13 ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.905 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.905 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.075 HD22 HG11 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 66' ' ' LEU . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.715 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 140.99 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -133.67 131.84 21.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.42 -54.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.57 -63.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.36 83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 178.98 6.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.59 119.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 p -109.47 154.01 23.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 104.19 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -125.5 127.63 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.07 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 178.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -111.99 117.13 31.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.99 160.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . -152.47 174.66 31.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt -94.79 -59.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.033 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD12 ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.926 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.596 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.926 HD23 HD13 ' A' ' 37' ' ' LEU . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.033 HD22 HG11 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.548 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.53 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.23 166.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -42.7 147.17 0.65 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.74 42.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.23 135.53 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -67.11 136.85 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.4 -162.52 35.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.32 10.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.7 t -127.79 127.87 44.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.09 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.1 m -156.22 110.22 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 0.72 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 66.61 -71.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 162.21 121.04 0.55 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 138.79 18.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -153.28 149.73 28.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 131.17 135.37 3.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.9 mt -56.57 -55.42 34.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.094 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.884 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 34' ' ' TYR . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.884 HD23 HD13 ' A' ' 37' ' ' LEU . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG12 ' HG ' ' A' ' 49' ' ' LEU . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.601 ' HG ' HG12 ' A' ' 46' ' ' VAL . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.708 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.094 HD22 HG11 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.575 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' A' ' 19' ' ' LEU . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 2.5 tttt -79.32 -89.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.4 mtm180 -37.87 151.41 0.16 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m 62.13 135.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m 58.39 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.6 -163.62 10.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 p 179.85 142.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 117.73 31.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -106.94 104.84 14.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -114.2 118.69 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.18 82.63 1.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -147.75 152.99 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 0.744 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -146.78 150.82 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 139.79 130.83 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt -56.64 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 66' ' ' LEU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.097 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.697 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' OG ' ' A' ' 21' ' ' SER . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 44' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 37' ' ' LEU . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.569 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.704 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.097 HD22 HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.768 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 67' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.502 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 72.4 m80 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.697 HG22 ' CD1' ' A' ' 19' ' ' LEU . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.48 ' O ' HD12 ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 149.47 77.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 119.4 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -58.93 140.88 54.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 t -77.98 -48.38 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.1 100.49 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 159.03 42.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' SER . 13.0 t -79.23 143.93 34.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.945 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 88' ' ' SER . 24.1 m 58.02 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.07 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.26 116.73 5.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.132 . . . . 0.0 110.059 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 98.16 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -155.07 110.12 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m 61.27 160.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.29 104.43 2.94 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt -74.86 -62.03 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.587 0.816 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.99 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 81' ' ' LYS . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.99 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 49' ' ' LEU . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 46' ' ' VAL . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.853 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.853 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 19' ' ' LEU . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 44' ' ' LEU . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -45.46 134.66 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.58 155.71 9.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.12 11.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -55.39 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.15 88.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.052 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.59 172.3 15.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 137.92 22.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 p -151.94 -48.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.89 -173.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.419 1.075 . . . . 0.0 110.97 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m 44.44 83.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 109.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.4 9.17 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p 175.64 -45.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -86.05 141.38 29.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.77 176.85 34.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt -94.43 -55.28 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' HB3' HD11 ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.991 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 34' ' ' TYR . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.773 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.773 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.671 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.734 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.734 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' CD1' ' A' ' 19' ' ' LEU . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 44' ' ' LEU . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 135.4 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 137.54 6.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.15 5.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -111.48 168.71 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.5 p -112.68 84.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.43 94.08 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.3 92.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.59 108.83 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.56 108.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.44 121.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.058 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.93 -83.39 1.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t 58.57 159.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.96 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -75.01 -179.32 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 112.75 118.85 3.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 12' ' ' VAL . 6.3 mt -53.11 -49.81 65.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.219 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.603 ' HD3' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.945 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' MET . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.65 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.77 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.92 HD13 HD23 ' A' ' 44' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 34' ' ' TYR . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.92 HD23 HD13 ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.622 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.637 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.945 HD22 HG11 ' A' ' 12' ' ' VAL . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 70' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' HD23 ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.591 HD11 HG23 ' A' ' 69' ' ' ILE . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -61.9 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 153.61 39.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -104.13 152.77 21.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.79 161.21 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.33 92.84 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.047 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.74 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -146.12 135.81 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.4 141.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -158.18 169.36 24.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -102.81 165.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.61 -99.4 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 63.36 140.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.76 171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . 76.5 147.61 2.32 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.771 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt -94.32 -57.87 2.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.56 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.129 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.952 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.713 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.129 HD22 HG11 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.526 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD13 ' CE ' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 3.9 m80 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 44' ' ' LEU . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 174.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.88 134.34 1.04 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 157.8 42.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.416 1.746 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t 179.61 80.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.34 148.84 6.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.83 3.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 -58.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.81 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.82 165.47 30.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m 64.27 148.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.84 -141.86 7.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 167.94 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -92.69 176.52 6.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 115.03 120.8 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.3 mt -51.33 -55.93 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.137 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' MET . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.958 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.876 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.876 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.137 HD22 HG11 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.679 HD11 HG23 ' A' ' 69' ' ' ILE . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 141.82 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 58.83 167.98 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.566 1.824 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.1 165.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -136.37 146.53 46.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.063 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.62 123.34 0.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.61 38.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 140.11 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.0 m 41.44 82.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 73.15 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.99 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.39 154.64 39.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 -166.79 12.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -177.64 132.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 m 60.25 166.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 82.81 110.74 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt -52.31 -54.5 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.97 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.576 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' OG ' ' A' ' 21' ' ' SER . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.837 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.553 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.929 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.941 ' OE2' HD22 ' A' ' 43' ' ' LEU . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD22 ' OE2' ' A' ' 40' ' ' GLU . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD23 HD13 ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG21 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.966 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.795 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.761 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.761 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.97 HD22 HG11 ' A' ' 12' ' ' VAL . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 66' ' ' LEU . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.73 ' CD2' ' HA ' ' A' ' 50' ' ' PRO . 2.2 m80 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -51.51 -51.89 51.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 153.19 44.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.22 31.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.14 140.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.0 m -131.27 153.71 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 25' ' ' GLY . . . -140.76 169.21 24.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.38 17.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -84.8 142.66 29.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -157.1 150.89 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.585 1.178 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.32 103.52 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.94 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 67.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 55.59 102.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -175.22 93.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 110.94 128.43 5.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.415 1.072 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.0 mt -55.21 -56.94 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.654 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.05 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' HB3' HD23 ' A' ' 32' ' ' LEU . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' OD1' ' A' ' 17' ' ' ASP . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 80' ' ' LEU . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.823 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.925 ' CD1' HD23 ' A' ' 44' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 34' ' ' TYR . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' HD3' ' A' ' 9' ' ' ARG . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.749 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.05 HD22 HG11 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 66' ' ' LEU . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.7 m80 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 69' ' ' ILE . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -47.45 142.62 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 62.53 164.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 121.39 6.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.596 1.84 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -178.63 134.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -151.8 165.81 33.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.89 -96.37 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -178.77 4.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.9 t 60.59 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.23 98.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 111.034 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.27 111.47 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 131.17 41.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 129.03 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -106.66 127.57 53.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 108.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.09 174.9 20.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.4 mt -92.15 -55.65 3.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.827 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.697 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG23 ' OD1' ' A' ' 17' ' ' ASP . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 38' ' ' LEU . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.858 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 34' ' ' TYR . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD23 ' CD1' ' A' ' 37' ' ' LEU . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.619 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.563 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.509 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 69' ' ' ILE . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -80.38 -89.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -43.67 167.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 p -178.33 112.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -148.38 160.41 43.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.85 6.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.41 6.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -166.42 148.55 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -131.96 93.32 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 132.58 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -177.92 142.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 -116.41 2.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m 67.07 121.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -148.1 128.56 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 123.52 134.28 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt -47.74 -55.4 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.053 HG11 HD22 ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' MET . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.674 ' OD1' HG23 ' A' ' 18' ' ' VAL . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG23 ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 24' ' ' LEU . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 34' ' ' TYR . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.913 ' OE2' HD22 ' A' ' 43' ' ' LEU . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.913 HD22 ' OE2' ' A' ' 40' ' ' GLU . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 37' ' ' LEU . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.772 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.053 HD22 HG11 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.844 HG23 HD11 ' A' ' 76' ' ' ILE . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 69' ' ' ILE . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.546 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -21.01 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 145.0 30.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -31.56 6.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -63.27 120.63 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.5 p -170.53 141.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.4 76.96 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.427 1.08 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.43 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 t -48.9 149.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.38 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.938 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.956 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 34' ' ' TYR . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 81' ' ' LYS . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.956 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.485 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.991 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.721 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 69' ' ' ILE . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 80' ' ' LEU . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.7 mt . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 66' ' ' LEU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.052 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.805 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.955 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.669 ' OE2' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 ' OE2' ' A' ' 40' ' ' GLU . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.955 HD23 HD13 ' A' ' 37' ' ' LEU . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.549 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.652 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.701 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.701 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.052 HD22 HG11 ' A' ' 12' ' ' VAL . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG3' HD11 ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.648 ' CD1' HG23 ' A' ' 69' ' ' ILE . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.592 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.078 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 34' ' ' TYR . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HD3' ' A' ' 50' ' ' PRO . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.528 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.078 HD22 HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' LEU . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.592 HD13 ' CE ' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG23 ' A' ' 69' ' ' ILE . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.5 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.748 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.671 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 66' ' ' LEU . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.455 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG23 ' A' ' 69' ' ' ILE . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 66' ' ' LEU . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' MET . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.551 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.465 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.84 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.535 ' OH ' ' CD2' ' A' ' 16' ' ' PHE . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.906 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.906 HD23 HD13 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.809 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.593 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.539 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.667 HD11 HG23 ' A' ' 69' ' ' ILE . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.0 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.854 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB3' HD11 ' A' ' 38' ' ' LEU . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.871 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.591 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.591 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.51 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.5 mt . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.872 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.525 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.1 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' MET . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.63 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.835 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 44' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 50' ' ' PRO . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.89 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.782 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.872 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.1 HD22 HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 66' ' ' LEU . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.725 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 59' ' ' ALA . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD22 ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.075 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.715 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.871 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 37' ' ' LEU . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.9 HD23 HD13 ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.905 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.905 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.542 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.075 HD22 HG11 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 66' ' ' LEU . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.715 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.485 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.033 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD12 ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.926 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.596 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.596 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.926 HD23 HD13 ' A' ' 37' ' ' LEU . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.033 HD22 HG11 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.548 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.53 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.9 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.533 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.094 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.884 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 34' ' ' TYR . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.499 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.884 HD23 HD13 ' A' ' 37' ' ' LEU . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.601 HG12 ' HG ' ' A' ' 49' ' ' LEU . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.601 ' HG ' HG12 ' A' ' 46' ' ' VAL . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.708 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.094 HD22 HG11 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.575 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' A' ' 19' ' ' LEU . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.5 tttt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 66' ' ' LEU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.097 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.554 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.697 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.531 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' OG ' ' A' ' 21' ' ' SER . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 44' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.586 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 37' ' ' LEU . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.615 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.704 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.097 HD22 HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.768 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 72' ' ' HIS . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 67' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 50' ' ' PRO . 89.9 m-70 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.697 HG22 ' CD1' ' A' ' 19' ' ' LEU . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.48 ' O ' HD12 ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.99 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 81' ' ' LYS . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.99 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 49' ' ' LEU . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 46' ' ' VAL . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.853 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.853 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 19' ' ' LEU . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 44' ' ' LEU . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.527 ' HB3' HD11 ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.991 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 34' ' ' TYR . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.773 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.773 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.671 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.734 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.734 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' CD1' ' A' ' 19' ' ' LEU . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 44' ' ' LEU . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 12' ' ' VAL . 6.3 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.603 ' HD3' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.945 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' MET . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.65 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.77 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.92 HD13 HD23 ' A' ' 44' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 34' ' ' TYR . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.92 HD23 HD13 ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.622 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.637 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.945 HD22 HG11 ' A' ' 12' ' ' VAL . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 70' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' HD23 ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.591 HD11 HG23 ' A' ' 69' ' ' ILE . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.771 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.56 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.129 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.952 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.788 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.713 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.129 HD22 HG11 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.526 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.592 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.56 HD13 ' CE ' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.1 m-70 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 44' ' ' LEU . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.3 mt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.335 -0.616 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.137 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' MET . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.56 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.958 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.876 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.876 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.137 HD22 HG11 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.679 HD11 HG23 ' A' ' 69' ' ' ILE . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.97 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.626 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.576 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' OG ' ' A' ' 21' ' ' SER . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.837 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.553 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.929 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.941 ' OE2' HD22 ' A' ' 43' ' ' LEU . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.941 HD22 ' OE2' ' A' ' 40' ' ' GLU . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.929 HD23 HD13 ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.69 HG21 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.966 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.795 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.761 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.761 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.97 HD22 HG11 ' A' ' 12' ' ' VAL . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 66' ' ' LEU . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.531 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 9.4 m-70 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm . . . . . 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.0 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.654 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.05 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.623 ' HB3' HD23 ' A' ' 32' ' ' LEU . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' OD1' ' A' ' 17' ' ' ASP . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.55 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.457 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 80' ' ' LEU . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.823 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.925 ' CD1' HD23 ' A' ' 44' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 34' ' ' TYR . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' HD3' ' A' ' 9' ' ' ARG . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.749 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.05 HD22 HG11 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 66' ' ' LEU . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.8 m-70 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 69' ' ' ILE . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.4 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.827 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.697 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG23 ' OD1' ' A' ' 17' ' ' ASP . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 38' ' ' LEU . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.858 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 34' ' ' TYR . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.777 HD23 ' CD1' ' A' ' 37' ' ' LEU . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.619 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.685 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.563 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.509 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 69' ' ' ILE . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.053 HG11 HD22 ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' MET . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.674 ' OD1' HG23 ' A' ' 18' ' ' VAL . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.674 HG23 ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 24' ' ' LEU . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 34' ' ' TYR . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.913 ' OE2' HD22 ' A' ' 43' ' ' LEU . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.913 HD22 ' OE2' ' A' ' 40' ' ' GLU . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 37' ' ' LEU . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.772 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.053 HD22 HG11 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.844 HG23 HD11 ' A' ' 76' ' ' ILE . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 69' ' ' ILE . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.546 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -131.66 161.3 33.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 0.734 . . . . 0.0 110.028 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -164.93 110.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.48 173.97 0.13 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.97 78.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.58 0.812 . . . . 0.0 110.047 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m 62.5 103.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' MET . . . -163.84 131.14 2.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.435 1.084 . . . . 0.0 111.023 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 8.0 mt -51.58 -55.28 20.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 0.752 . . . . 0.0 109.287 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.883 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 31.5 ttp180 -69.14 -37.81 78.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.262 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 tppt? -66.34 -20.12 66.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.624 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -80.32 -32.65 37.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.91 HG11 HD22 ' A' ' 66' ' ' LEU . 1.9 p -93.27 -21.4 6.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -56.1 -29.41 60.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.618 1.198 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -93.02 -37.16 12.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 110.255 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -48.31 -73.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.5 m-85 -43.78 -40.62 4.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.942 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -63.93 -52.18 61.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 7.7 t -56.25 -62.46 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.326 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 18.1 mt -44.35 -52.59 7.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.356 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 23.0 t80 -54.01 -52.66 60.09 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -60.24 -34.32 73.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.96 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -63.94 -46.32 85.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.377 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.17 -28.53 64.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.427 1.079 . . . . 0.0 109.337 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.8 mt -77.32 -23.99 50.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.12 43.75 79.62 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.526 1.141 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.99 172.29 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.418 0.716 . . . . 0.0 110.378 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.88 -46.88 7.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -95.04 156.12 16.45 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.941 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -82.12 109.71 16.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -93.17 155.97 40.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 172.74 15.78 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.55 1.816 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.827 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.06 102.47 54.8 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 77.16 3.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.466 1.772 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 96.3 m-85 -52.17 -53.35 44.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.178 . . . . 0.0 111.019 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' TYR . 12.6 pt-20 -39.2 -30.6 0.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.565 1.166 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' ARG . 5.2 mtm-85 -93.63 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.163 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.956 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -42.66 -33.95 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD11 ' HB3' ' A' ' 34' ' ' TYR . 81.5 mt -64.63 -49.07 72.51 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.115 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -51.68 -49.99 61.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.576 1.172 . . . . 0.0 110.273 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -114.35 103.17 55.13 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -27.7 9.71 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.447 1.762 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.46 73.74 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HD2' ' A' ' 81' ' ' LYS . 12.2 tp -64.03 -42.22 97.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 0.719 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.956 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -156.25 112.8 3.1 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.485 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.11 135.36 41.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.717 HG21 ' CE1' ' A' ' 55' ' ' PHE . 38.9 t -97.09 121.16 47.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -120.22 166.93 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 110.237 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.73 29.95 75.52 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.48 1.112 . . . . 0.0 111.063 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.77 165.24 54.92 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.401 0.707 . . . . 0.0 109.23 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.98 108.81 2.8 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.534 1.807 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' PRO . 71.6 mt-10 -35.06 143.31 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.08 54.58 8.98 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.529 1.143 . . . . 0.0 111.042 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -162.06 -169.47 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.429 0.723 . . . . 0.0 109.262 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.91 140.66 18.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.717 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.1 t80 -58.73 109.24 0.77 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.143 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.7 OUTLIER -163.63 164.69 23.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.163 . . . . 0.0 110.233 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 3.9 mtt180 -37.96 155.77 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.991 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.91 -21.93 15.55 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 110.983 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -81.39 -52.19 7.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -49.68 -38.45 32.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.663 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -51.02 171.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.721 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.21 -178.32 1.11 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.267 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -75.02 -56.3 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.56 1.821 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -64.73 -22.33 66.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.721 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.3 -61.8 2.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.991 HD21 ' O ' ' A' ' 58' ' ' PRO . 66.6 mt -45.05 -45.04 10.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.482 1.113 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.457 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 27.9 mtm -63.68 -32.29 73.73 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 111.039 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -81.82 -19.82 40.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.238 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.755 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.7 mt -80.55 -44.1 21.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.624 HD22 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -70.6 -22.33 62.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -90.02 -40.23 12.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.321 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.75 -9.95 54.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.594 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.472 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -41.58 -46.42 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.027 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.54 ' CE1' ' HG3' ' A' ' 75' ' ' ARG . 5.2 p80 -41.28 -27.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.579 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.54 ' HG3' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -95.49 -43.21 8.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.299 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.714 HD11 HG23 ' A' ' 69' ' ' ILE . 60.6 mt -38.41 123.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 61.3 mtt180 -145.33 132.38 20.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.9 m-85 -87.33 153.08 21.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt -137.06 116.9 13.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.247 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.454 ' HA ' HD23 ' A' ' 80' ' ' LEU . 17.8 mt -90.28 152.35 21.09 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.406 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -52.92 -26.16 14.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 109.325 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.96 139.84 25.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 163.94 34.3 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 76.01 81.55 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.888 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 11.2 p -91.19 136.57 33.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.96 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -64.55 111.97 4.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.581 1.176 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 146.15 32.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.427 1.751 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.9 t -57.4 -59.23 5.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.009 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 t -166.59 -58.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 111.063 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.5 m 59.97 98.86 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.511 0.771 . . . . 0.0 110.034 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m 175.11 120.14 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.9 138.69 6.77 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.1 m -133.6 -61.5 0.81 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 0.768 . . . . 0.0 109.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -170.67 111.55 0.39 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.986 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.65 121.62 0.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.557 1.161 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.608 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.7 mt -65.13 -59.83 3.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.436 ' N ' HD13 ' A' ' 66' ' ' LEU . 10.6 ttm180 -59.59 -31.72 69.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.128 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.535 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -73.08 -34.0 65.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -64.59 -57.22 9.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.052 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.74 -36.02 68.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.426 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.7 mm-40 -45.34 -48.7 13.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -71.99 -41.26 67.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 21.2 t -46.83 -67.31 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.565 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.3 m-85 -50.39 -35.54 28.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -67.28 -57.95 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.6 t -50.25 -65.3 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.148 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.4 mt -40.34 -59.7 1.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.529 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 22.2 t80 -48.71 -52.09 25.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.5 t -59.19 -36.5 75.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -65.57 -43.38 90.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.52 -29.2 63.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.8 mt -74.83 -23.32 58.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.131 . . . . 0.0 109.337 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.5 36.08 87.89 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.549 1.156 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -89.16 178.8 6.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 0.765 . . . . 0.0 110.37 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.33 -48.0 6.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 m -96.3 162.35 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.6 t -84.72 115.02 25.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.345 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 m -99.5 155.72 36.19 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.9 172.47 16.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.393 1.733 . . . . 0.0 111.026 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.805 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.35 100.28 53.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 72.79 4.52 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.487 1.783 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 91.5 m-85 -47.42 -55.71 8.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.43 1.081 . . . . 0.0 110.961 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 34' ' ' TYR . 7.0 pt-20 -37.74 -31.51 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -92.17 -67.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 110.265 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.955 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.11 -35.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.17 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.0 mt -61.3 -51.08 70.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' ARG . 15.1 tpp180 -42.37 -49.61 5.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' OE2' HD22 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -118.95 104.37 46.74 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.162 . . . . 0.0 110.269 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -19.59 17.69 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.424 1.75 . . . . 0.0 111.039 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.26 -24.98 64.67 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.578 1.174 . . . . 0.0 111.007 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.669 HD22 ' OE2' ' A' ' 40' ' ' GLU . 10.2 tp -66.85 -42.11 86.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.255 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.955 HD23 HD13 ' A' ' 37' ' ' LEU . 5.9 tp -155.21 110.58 3.06 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.11 137.67 36.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.777 HG21 ' CE1' ' A' ' 55' ' ' PHE . 32.2 t -100.32 114.85 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -113.64 164.76 13.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.82 29.71 70.86 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.9 mt -75.59 164.99 57.14 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.48 0.753 . . . . 0.0 109.278 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.3 Cg_endo -74.88 102.27 1.56 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.441 1.759 . . . . 0.0 111.011 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.474 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.0 mm-40 -31.94 146.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.56 43.31 44.76 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.437 1.085 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.652 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.1 mt -155.77 -169.69 3.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 0.786 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.42 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.35 141.79 20.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.587 1.179 . . . . 0.0 109.261 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.777 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.9 t80 -61.35 110.63 1.48 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.04 166.47 21.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.336 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.434 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.1 mtt-85 -41.09 151.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.549 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.0 -20.77 16.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.016 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.71 -20.16 33.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -86.55 -18.23 32.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.652 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -73.23 166.93 22.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 110.99 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.701 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.49 -178.48 1.19 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.098 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.564 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.0 -50.45 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.424 1.749 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 -22.35 64.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.701 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -67.31 -58.83 4.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.052 HD22 HG11 ' A' ' 12' ' ' VAL . 60.6 mt -46.64 -41.07 14.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 109.365 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.495 ' HG3' HD11 ' A' ' 8' ' ' LEU . 22.4 mtm -67.74 -35.29 78.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.88 -19.51 58.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.952 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.8 mt -79.43 -43.66 23.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.443 1.089 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.485 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mt -67.66 -24.03 65.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -88.18 -42.42 12.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -82.28 -10.9 58.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.637 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -45.39 -43.45 11.15 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.55 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 31.9 p-80 -47.93 -24.29 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 109.631 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.55 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 5.9 mtp180 -102.45 -37.43 8.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.648 ' CD1' HG23 ' A' ' 69' ' ' ILE . 30.5 mt -44.06 118.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -139.88 131.39 27.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.105 . . . . 0.0 110.289 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.05 148.75 26.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.553 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -133.34 116.26 15.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -91.72 155.43 18.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.448 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -55.33 -25.27 33.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.1 ttm-85 -107.38 131.25 21.86 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 98.46 1.16 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.597 1.84 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.6 t -165.79 110.56 0.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.015 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.7 t -158.87 146.26 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 110.046 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -121.52 156.09 16.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.963 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 163.4 35.45 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.494 1.786 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.3 t -168.88 -63.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 110.024 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.4 m 53.15 102.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.98 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -163.7 140.1 6.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 0.778 . . . . 0.0 109.968 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -134.57 92.68 2.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.96 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.76 119.87 3.38 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.568 1.168 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -155.19 134.72 12.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.407 0.71 . . . . 0.0 109.988 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.57 162.09 13.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.439 1.087 . . . . 0.0 110.038 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.09 170.09 12.75 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.571 1.169 . . . . 0.0 111.02 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.645 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt -94.41 -56.28 2.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.509 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 10.6 ttm180 -63.53 -33.55 75.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.333 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.528 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.84 -35.05 77.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.592 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -65.55 -57.19 8.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 110.953 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.078 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -62.64 -32.26 54.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 O-C-N 124.623 1.202 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -47.96 -44.5 30.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.2 pt-20 -75.68 -39.8 56.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.418 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 27.7 t -46.88 -72.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.1 m-85 -45.57 -31.76 1.99 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.473 1.108 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.437 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -71.73 -62.53 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -44.87 -60.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.3 mt -43.93 -63.37 0.87 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.505 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 29.5 t80 -43.52 -50.5 7.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 25' ' ' GLY . 6.1 m -59.81 -41.9 92.28 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -58.44 -48.89 79.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.319 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.29 -34.11 75.56 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.506 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.7 mt -73.55 -24.79 60.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 66.03 45.25 88.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -98.46 175.67 5.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 110.298 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.66 -52.08 4.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.353 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -91.36 160.21 15.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.32 109.91 19.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.422 1.076 . . . . 0.0 109.255 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.3 m -93.03 156.77 40.08 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.463 1.102 . . . . 0.0 109.378 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.437 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -74.97 170.5 20.28 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.001 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.841 HD11 HD12 ' A' ' 37' ' ' LEU . 2.7 tp -114.36 102.01 54.54 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.477 1.11 . . . . 0.0 109.344 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 81.88 2.12 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.44 1.758 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 79.1 m-85 -57.69 -50.23 73.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 110.971 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -41.86 -29.8 0.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.324 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.6 OUTLIER -93.72 -65.94 0.96 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 110.265 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.841 HD12 HD11 ' A' ' 32' ' ' LEU . 3.4 mt -44.77 -38.34 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD11 ' HB3' ' A' ' 34' ' ' TYR . 80.7 mt -58.66 -43.17 89.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 64.9 ttt180 -56.2 -42.53 77.33 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.581 1.176 . . . . 0.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.7 pt-20 -121.77 104.87 38.75 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -23.35 13.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.516 1.798 . . . . 0.0 111.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.21 -28.71 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.56 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.2 tp -62.37 -42.11 99.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.672 HD23 HD13 ' A' ' 37' ' ' LEU . 3.2 tp -155.84 110.17 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -98.94 130.31 45.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.105 . . . . 0.0 109.343 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.543 HG21 ' CE1' ' A' ' 55' ' ' PHE . 50.3 t -96.09 120.74 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -118.05 166.43 12.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.257 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.81 31.38 78.13 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD23 ' HD3' ' A' ' 50' ' ' PRO . 5.0 mt -76.53 166.03 48.09 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.477 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.4 Cg_endo -74.96 101.74 1.5 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.439 1.757 . . . . 0.0 111.034 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 50' ' ' PRO . 1.2 mm-40 -31.91 146.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.588 1.18 . . . . 0.0 110.35 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.91 42.6 44.65 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.584 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.9 mt -155.17 -169.54 3.2 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.99 140.91 18.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.6 t80 -59.31 111.28 1.31 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.87 165.41 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.459 1.099 . . . . 0.0 110.357 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.6 mtt-85 -39.05 149.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.528 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.6 Cg_endo -75.0 -20.86 16.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.421 1.748 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.47 -17.97 34.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -87.8 -20.21 26.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.567 1.167 . . . . 0.0 110.308 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -69.67 169.28 13.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.68 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.59 -178.7 1.23 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.559 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.1 Cg_endo -74.94 -51.41 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.978 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -67.37 -24.88 65.74 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.68 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.41 -58.88 5.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.078 HD22 HG11 ' A' ' 12' ' ' VAL . 58.1 mt -48.19 -43.13 31.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.549 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 21.9 mtm -65.89 -30.76 71.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 111.031 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -82.44 -22.95 35.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.115 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 66' ' ' LEU . 17.6 mt -74.93 -43.51 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.592 HD13 ' CE ' ' A' ' 11' ' ' MET . 2.8 mt -68.47 -22.56 64.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -89.31 -39.29 13.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.277 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.479 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 11.5 m-70 -85.88 -10.78 54.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.4 p -44.11 -48.94 9.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 109.979 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.563 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -43.97 -26.9 0.31 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.609 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.563 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 3.9 mtt180 -96.87 -36.77 10.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 ' CD1' HG23 ' A' ' 69' ' ' ILE . 46.9 mt -46.57 119.34 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 0.0 109.375 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.2 mtm-85 -134.66 133.07 39.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.267 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.5 m-85 -90.66 145.36 24.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.046 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 1.3 mmmt -135.5 121.68 20.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 19.6 mt -95.82 146.6 24.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.086 . . . . 0.0 109.332 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -48.39 143.41 4.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -153.37 143.52 15.44 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 77.93 3.02 Favored 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.798 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 55.19 88.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 110.065 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.2 t -169.61 136.45 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.011 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.55 -144.64 3.81 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.59 1.181 . . . . 0.0 111.017 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 178.57 7.1 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -100.73 99.2 9.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.991 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.8 p -66.0 114.24 5.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.034 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.6 169.6 22.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.7 p -135.71 160.03 39.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.997 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.41 149.88 5.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.453 1.096 . . . . 0.0 110.996 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -163.26 99.96 0.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 0.743 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -139.82 -67.72 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.421 1.076 . . . . 0.0 110.002 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.43 164.54 44.84 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.518 1.136 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt -77.82 -57.08 4.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 0.764 . . . . 0.0 109.335 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -65.08 -33.13 75.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.492 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -65.08 -33.2 75.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.499 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.2 OUTLIER -70.48 -56.43 6.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 111.064 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -62.21 -23.99 33.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.562 1.164 . . . . 0.0 109.318 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.5 mm-40 -57.94 -44.9 87.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.41 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.3 pt-20 -76.51 -38.21 55.56 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.442 1.089 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 41.1 t -48.25 -73.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.487 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.6 m-85 -44.57 -36.66 3.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.484 1.115 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -45.38 -58.91 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 14.5 mt -47.67 -60.38 2.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 19.1 t80 -47.66 -52.09 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -58.78 -40.25 83.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.096 . . . . 0.0 109.981 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -60.37 -50.75 72.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.38 -32.6 74.07 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.284 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.0 mt -75.8 -23.27 55.83 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 65.77 44.62 91.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.099 . . . . 0.0 111.013 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -95.92 175.26 6.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 110.295 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.69 -47.84 6.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 160.92 14.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.4 t -85.26 115.77 27.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.434 1.084 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.0 m -99.07 155.43 36.57 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.158 . . . . 0.0 109.271 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 173.2 14.92 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.499 1.789 . . . . 0.0 110.938 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -115.57 100.63 53.79 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.163 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 72.74 4.58 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.8 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.507 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 96.1 m-85 -48.1 -53.05 17.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 15.1 pt-20 -38.62 -32.43 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.11 . . . . 0.0 110.355 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mtm180 -92.24 -67.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.407 1.067 . . . . 0.0 110.304 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.91 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.18 -32.08 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.9 mt -66.52 -50.82 61.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.3 ttt85 -49.39 -45.95 46.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.426 1.079 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -119.18 104.54 45.94 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -26.7 10.73 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.035 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.77 -30.37 72.65 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.566 1.166 . . . . 0.0 111.037 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -61.55 -42.38 98.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 0.787 . . . . 0.0 109.307 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD23 HD13 ' A' ' 37' ' ' LEU . 3.9 tp -158.14 112.32 2.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -100.2 133.91 43.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.748 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -96.12 117.41 40.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -116.38 164.37 14.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.313 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.77 29.88 72.65 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 0.0 111.005 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.407 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.9 mt -74.54 165.78 50.72 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.5 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.1 Cg_endo -75.04 101.94 1.53 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.481 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.3 mt-10 -31.26 145.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.66 48.74 27.29 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.519 1.137 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.671 HD22 ' CE1' ' A' ' 61' ' ' TYR . 6.2 mt -159.14 -167.84 2.19 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 0.738 . . . . 0.0 109.25 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.34 139.01 16.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.748 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.7 t80 -59.58 112.66 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.06 170.59 16.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.3 mtt-85 -44.4 149.88 0.7 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.507 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.98 -21.19 16.15 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 110.947 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.82 -18.11 31.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.426 1.079 . . . . 0.0 109.301 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -88.73 -18.93 26.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.341 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.671 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -68.98 168.79 12.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 110.966 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.33 -179.0 1.3 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.318 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.551 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.95 -53.18 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.761 . . . . 0.0 110.965 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -66.49 -24.05 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.524 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.92 -59.82 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 82.4 mt -45.04 -55.58 5.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.783 ' HA ' HD12 ' A' ' 70' ' ' LEU . 27.9 mtm -53.18 -34.79 58.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -75.23 -30.81 60.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 1.18 . . . . 0.0 109.258 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 66' ' ' LEU . 11.5 mt -70.06 -39.01 76.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 109.238 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 67' ' ' MET . 1.4 mt -70.26 -27.1 64.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -85.93 -40.18 16.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.5 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.2 m-70 -85.28 -10.8 56.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.597 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.455 ' HA ' HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -43.34 -53.81 5.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.585 1.178 . . . . 0.0 110.045 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.528 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.1 p80 -42.41 -28.93 0.24 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.528 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 6.0 mtp180 -93.97 -36.49 12.14 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.688 ' CD1' HG23 ' A' ' 69' ' ' ILE . 49.4 mt -46.78 124.83 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.339 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -144.72 131.32 19.94 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.593 1.183 . . . . 0.0 110.296 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.551 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.3 m-85 -85.29 152.31 23.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -136.27 116.15 13.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.565 1.165 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -88.86 158.01 18.25 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.418 ' HG2' ' N ' ' A' ' 82' ' ' ARG . 0.0 OUTLIER -56.13 -27.09 52.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 109.317 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' N ' ' HG2' ' A' ' 81' ' ' LYS . 5.3 ttt180 -99.59 131.5 24.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.308 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 113.62 3.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.394 1.733 . . . . 0.0 110.971 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -108.88 179.63 4.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.435 1.084 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.1 m -136.5 157.07 47.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.964 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.33 133.7 1.55 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.42 27.09 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.501 1.79 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.74 160.23 1.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.006 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 34.5 m -120.13 119.69 34.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.022 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.408 1.068 . . . . 0.0 111.034 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.2 p 45.44 93.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 0.811 . . . . 0.0 109.963 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -145.43 164.36 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.49 114.33 0.7 Allowed Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.513 1.133 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.31 -170.21 2.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.598 0.823 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -141.26 173.38 11.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.974 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.67 172.41 23.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD1' ' HG3' ' A' ' 67' ' ' MET . 6.6 mt -94.24 -54.49 3.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 0.731 . . . . 0.0 109.357 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.434 ' N ' HD13 ' A' ' 66' ' ' LEU . 2.8 ttp180 -63.23 -32.41 73.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HE2' ' NH2' ' A' ' 9' ' ' ARG . 0.4 OUTLIER -68.52 -30.42 69.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.541 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -69.81 -51.5 33.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.043 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.039 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -71.17 -18.12 20.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.96 -57.22 13.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 110.307 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -68.06 -33.45 74.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.314 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 11' ' ' MET . 42.6 t -49.27 -72.68 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.345 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.535 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 7.1 m-85 -47.75 -24.12 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.45 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -78.84 -62.67 1.62 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.2 t -46.32 -57.08 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.551 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -47.79 -57.74 5.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.499 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 18.3 t80 -51.31 -46.16 62.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.4 t -63.95 -35.92 82.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -63.1 -50.34 70.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.305 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.14 -29.57 69.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.499 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.5 mt -78.35 -26.04 46.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.442 1.089 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.23 46.06 91.88 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.398 1.061 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.465 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -96.44 174.65 6.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.06 -44.02 10.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.326 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 m -99.38 164.46 12.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.1 t -89.35 113.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.581 1.176 . . . . 0.0 109.327 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -96.4 154.16 38.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.45 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 175.74 10.83 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.549 1.815 . . . . 0.0 111.034 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.84 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -116.0 100.98 54.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 72.95 4.46 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.511 1.795 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.535 ' OH ' ' CD2' ' A' ' 16' ' ' PHE . 93.9 m-85 -47.84 -53.02 16.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' HB3' ' NH2' ' A' ' 57' ' ' ARG . 17.1 pt-20 -38.98 -30.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.235 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.8 mtt180 -94.97 -66.98 0.88 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.906 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -43.35 -31.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.484 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.9 mt -66.42 -48.53 69.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -50.9 -44.18 59.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.1 pt-20 -119.93 104.6 43.97 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -20.67 16.56 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.465 1.771 . . . . 0.0 110.99 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.38 -35.53 42.02 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.606 1.191 . . . . 0.0 111.063 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD22 ' CD ' ' A' ' 40' ' ' GLU . 14.1 tp -54.63 -42.33 71.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 0.795 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.906 HD23 HD13 ' A' ' 37' ' ' LEU . 3.0 tp -156.13 110.8 2.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.307 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -99.28 133.04 44.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.551 HG21 ' CD1' ' A' ' 55' ' ' PHE . 45.0 t -95.65 112.46 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -110.0 165.2 11.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.68 31.85 77.0 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.593 1.183 . . . . 0.0 111.009 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.494 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.9 mt -77.18 165.01 55.24 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.809 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.99 106.07 2.2 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.436 1.756 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . 44.6 mt-10 -33.81 143.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 52.74 12.71 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.809 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.8 mt -160.98 -169.99 2.55 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 0.788 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.426 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.4 138.3 15.37 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.551 ' CD1' HG21 ' A' ' 46' ' ' VAL . 11.0 t80 -58.61 109.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 111.048 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.79 163.76 23.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -37.11 147.91 0.21 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.593 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.03 -19.54 17.67 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.68 -17.72 35.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -89.69 -16.7 29.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.326 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.8 171.06 12.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 110.963 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.06 -178.49 1.18 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.558 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.95 -54.33 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.492 1.785 . . . . 0.0 110.966 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -24.44 66.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.627 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -63.19 -60.0 3.99 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.117 . . . . 0.0 109.304 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.039 HD22 HG11 ' A' ' 12' ' ' VAL . 88.8 mt -45.09 -46.9 11.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.511 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.9 mtm -64.81 -30.08 71.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.97 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.54 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.87 -16.07 54.64 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.895 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.1 mt -84.9 -44.47 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -66.47 -24.47 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.376 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -87.91 -41.36 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.246 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.54 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.1 m-70 -81.98 -11.13 59.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.549 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.3 p -46.55 -36.46 6.84 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.092 . . . . 0.0 110.005 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 24.2 p-80 -51.86 -21.22 2.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.603 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.539 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 1.8 mtp-105 -106.0 -35.93 7.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.253 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.667 HD11 HG23 ' A' ' 69' ' ' ILE . 36.8 mt -43.14 121.24 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.085 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -143.07 131.32 22.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 110.276 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -87.61 147.12 25.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 111.022 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.5 mmmt -133.0 116.93 17.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -88.94 150.56 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -52.42 -60.19 3.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 13.7 mtt180 -77.29 156.86 81.29 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.065 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 129.8 12.75 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.512 1.796 . . . . 0.0 111.027 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.27 156.46 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.558 1.161 . . . . 0.0 109.961 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.17 -58.08 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.451 1.094 . . . . 0.0 109.973 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 64.99 99.35 0.02 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.43 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.464 1.77 . . . . 0.0 111.044 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.8 p -175.06 132.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.95 108.62 9.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 110.044 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 53.4 85.04 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.933 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m 56.95 103.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.71 -145.37 12.84 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.486 1.116 . . . . 0.0 111.0 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m 62.53 137.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.435 0.727 . . . . 0.0 109.939 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -139.52 169.16 18.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 109.949 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.09 156.26 10.46 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.0 mt -71.06 -57.39 4.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.398 0.705 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.3 OUTLIER -63.12 -33.64 75.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -68.68 -32.84 72.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.295 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.2 OUTLIER -66.84 -56.77 8.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 0.0 111.009 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -62.31 -29.29 46.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.449 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -53.02 -40.12 63.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.427 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 4.5 pt-20 -81.57 -41.92 20.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.272 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 23.7 t -44.94 -73.3 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.542 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.5 m-85 -42.14 -40.52 2.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.417 ' OD2' ' HA ' ' A' ' 31' ' ' PRO . 2.1 m-20 -65.29 -64.22 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 0.0 109.285 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -42.69 -54.72 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 109.283 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 13.8 mt -51.92 -59.31 4.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.457 1.098 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.461 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 25.8 t80 -48.23 -50.49 29.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.7 t -59.4 -40.39 86.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 109.952 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -59.66 -49.89 76.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.531 1.145 . . . . 0.0 110.251 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.51 -28.34 68.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.328 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 4.3 mt -77.07 -21.96 53.6 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.515 1.135 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.29 37.41 92.84 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.52 1.138 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -91.41 175.32 6.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.71 -46.77 6.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -94.55 160.02 14.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 88.1 t -83.95 114.26 24.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.34 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.5 m -98.57 156.0 36.15 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 109.254 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' OD2' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -74.99 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.854 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -118.61 101.5 50.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.576 1.173 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.56 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.788 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.491 ' HB3' HD11 ' A' ' 38' ' ' LEU . 91.5 m-85 -58.45 -52.24 66.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 110.993 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -41.0 -30.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.72 -67.44 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.871 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.68 -39.2 3.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.491 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.9 mt -58.7 -45.12 90.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.32 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 65.6 ttt180 -56.48 -44.21 80.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.153 . . . . 0.0 110.316 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -118.7 102.98 49.19 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.318 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -31.61 6.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.34 -24.8 70.92 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.562 1.164 . . . . 0.0 111.039 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.89 -42.05 86.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 109.32 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.871 HD23 HD13 ' A' ' 37' ' ' LEU . 4.1 tp -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.33 131.45 51.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.32 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.533 HG21 ' CE1' ' A' ' 55' ' ' PHE . 39.9 t -94.05 123.52 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -120.57 166.86 13.06 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.558 1.161 . . . . 0.0 110.329 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.69 29.9 75.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.56 1.163 . . . . 0.0 111.048 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 mt -75.51 165.91 49.63 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.507 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -75.07 102.16 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.525 1.803 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.478 ' C ' ' O ' ' A' ' 50' ' ' PRO . 12.6 pt-20 -32.11 146.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.41 44.48 41.79 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.435 1.084 . . . . 0.0 110.99 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -156.41 -169.45 3.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.45 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.79 141.27 18.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.533 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -61.05 112.21 2.0 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.437 1.086 . . . . 0.0 110.969 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.45 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.53 168.55 19.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -40.77 148.69 0.36 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 110.323 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.04 -20.5 16.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.438 1.757 . . . . 0.0 111.005 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.66 -12.73 50.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -92.77 -16.7 25.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 110.272 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -73.55 168.79 18.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.444 1.09 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.571 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -88.46 -178.44 1.05 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.591 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.1 Cg_endo -75.01 -41.39 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.482 1.78 . . . . 0.0 110.935 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.54 -23.67 58.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -67.61 -59.64 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 60.3 mt -47.22 -40.77 17.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.591 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 22.4 mtm -68.87 -31.54 70.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.427 1.08 . . . . 0.0 111.049 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.73 -21.23 38.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.41 1.068 . . . . 0.0 109.249 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -77.13 -42.61 31.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 11' ' ' MET . 3.3 mt -69.49 -27.29 65.08 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -83.84 -39.08 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 110.285 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.507 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 11.5 m-70 -86.73 -10.36 53.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -46.64 -43.4 17.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.984 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.549 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -49.84 -23.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.56 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.549 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.9 mtp180 -101.3 -35.52 9.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.51 ' CD1' HG23 ' A' ' 69' ' ' ILE . 38.9 mt -46.58 120.22 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.095 . . . . 0.0 109.311 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -136.26 129.04 30.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.39 1.056 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.7 m-85 -85.87 144.49 27.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.387 1.055 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.71 116.61 18.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.368 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.6 mt -92.17 148.84 21.85 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.276 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.55 141.36 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.4 1.063 . . . . 0.0 109.231 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.58 133.22 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 127.88 10.98 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.445 1.761 . . . . 0.0 110.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 37.3 p -174.47 95.81 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 110.101 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 77.5 p -57.75 171.22 0.5 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.043 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -151.1 -178.5 25.97 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.493 1.121 . . . . 0.0 110.983 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 175.34 11.37 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 t -155.85 -60.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.978 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 8.8 t -59.78 136.76 58.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.472 1.108 . . . . 0.0 111.054 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.1 p -177.77 147.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 109.907 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.5 m -139.73 -59.23 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.963 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.07 137.75 5.67 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.508 1.13 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 t -158.49 162.68 37.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 0.795 . . . . 0.0 110.019 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.46 170.93 15.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.1 151.36 8.27 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.517 1.136 . . . . 0.0 111.011 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.5 mt -62.28 -56.27 20.12 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.567 0.804 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.872 ' HD2' ' HB2' ' A' ' 59' ' ' ALA . 15.2 ttp-105 -66.46 -36.77 83.58 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.464 ' HA ' ' HD2' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -62.25 -29.44 70.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.525 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.8 OUTLIER -73.77 -53.05 11.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.963 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.1 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -68.42 -20.13 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.248 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.524 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.2 mm-40 -58.76 -43.18 90.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -79.08 -38.65 35.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 11' ' ' MET . 53.4 t -45.81 -74.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.373 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.63 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -43.17 -34.4 1.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.459 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.6 OUTLIER -69.27 -60.06 2.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.108 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.3 t -50.87 -50.69 22.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.725 ' CD1' HG22 ' A' ' 76' ' ' ILE . 18.6 mt -50.86 -53.12 35.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.478 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 16.8 t80 -53.89 -56.22 19.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 31.8 t -54.91 -40.67 70.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 110.027 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -60.7 -43.52 97.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 110.339 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.51 -32.11 65.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 109.242 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.8 mt -77.05 -22.56 52.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.33 31.02 71.28 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.474 1.109 . . . . 0.0 110.99 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -81.96 172.58 13.11 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 0.794 . . . . 0.0 110.31 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.7 -43.91 8.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -96.02 159.18 15.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.001 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.18 105.74 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.6 m -89.31 155.04 49.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -75.1 175.46 11.21 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 111.054 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.835 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.7 tp -119.58 102.47 47.57 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 83.32 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.461 1.769 . . . . 0.0 110.983 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -57.91 -51.63 68.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 111.053 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -41.46 -30.66 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.235 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 1.1 mtt-85 -92.24 -68.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.267 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.916 HD13 HD23 ' A' ' 44' ' ' LEU . 3.6 mt -42.92 -38.04 2.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.49 HD11 ' HB3' ' A' ' 34' ' ' TYR . 78.2 mt -60.48 -47.13 87.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.102 . . . . 0.0 109.357 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.2 ttt180 -53.48 -42.14 66.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.3 pt-20 -122.82 103.75 36.82 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 110.31 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -22.11 15.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.521 1.8 . . . . 0.0 110.985 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.4 -26.1 68.82 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.521 1.138 . . . . 0.0 110.976 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.415 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.8 tp -65.02 -42.16 94.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.343 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.916 HD23 HD13 ' A' ' 37' ' ' LEU . 8.2 tp -154.79 110.27 3.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.053 . . . . 0.0 109.273 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.33 129.49 45.01 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CD1' ' A' ' 55' ' ' PHE . 88.6 t -87.62 125.17 41.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -122.05 167.13 13.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.17 29.79 73.48 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.435 1.085 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD23 ' HD3' ' A' ' 50' ' ' PRO . 6.0 mt -63.02 166.69 7.47 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.444 0.732 . . . . 0.0 109.325 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.89 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -74.96 7.34 2.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.567 1.825 . . . . 0.0 110.999 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 61.4 145.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 68.38 31.23 73.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.488 1.117 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.89 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.2 mt -141.52 -170.17 3.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 0.792 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -145.79 134.93 22.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -58.41 111.01 1.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -163.53 169.13 19.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.13 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -41.01 151.48 0.27 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.782 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -74.94 -18.79 18.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.559 1.82 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.872 ' HB2' ' HD2' ' A' ' 9' ' ' ARG . . . -86.12 -34.16 20.7 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -69.44 -28.93 66.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.225 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.37 171.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.985 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.05 -178.76 1.21 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -74.99 -53.24 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.525 1.802 . . . . 0.0 110.966 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.36 -25.54 66.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.576 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -61.11 -62.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.146 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.1 HD22 HG11 ' A' ' 12' ' ' VAL . 55.1 mt -43.92 -43.44 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.51 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.7 mtm -64.13 -36.71 84.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 111.006 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -76.48 -26.24 55.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.839 HD12 ' HA ' ' A' ' 66' ' ' LEU . 19.4 mt -71.83 -46.87 59.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 11' ' ' MET . 0.9 OUTLIER -69.47 -25.7 64.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -82.15 -39.94 22.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.0 m-70 -88.1 -10.62 49.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.606 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -47.65 -24.53 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.977 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.557 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 49.6 p-80 -61.0 -14.9 26.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 109.585 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.557 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 2.0 mtp-105 -115.79 -34.88 4.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.44 1.087 . . . . 0.0 110.353 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.725 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.5 mt -40.47 118.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -140.19 129.19 23.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.2 m-85 -81.94 154.85 25.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.079 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -138.99 116.94 11.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 80' ' ' LEU . 15.3 mt -89.55 150.26 22.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -52.68 -24.22 8.17 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.603 1.189 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.87 153.1 79.74 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.268 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 172.42 16.39 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.513 1.796 . . . . 0.0 110.957 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.7 p -178.89 164.58 1.51 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.09 . . . . 0.0 109.986 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 91.0 p -92.62 171.52 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 1.176 . . . . 0.0 109.996 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.01 85.23 0.06 OUTLIER Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.485 1.116 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 57.12 4.46 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.442 1.759 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 41.89 89.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.985 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -130.5 100.48 5.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.601 1.188 . . . . 0.0 109.985 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.51 1.131 . . . . 0.0 110.995 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -179.09 170.62 1.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 0.724 . . . . 0.0 110.024 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.09 124.28 11.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.67 -111.4 0.55 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m 65.03 129.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.567 0.804 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -169.43 98.47 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.973 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 143.19 139.7 3.59 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.437 1.086 . . . . 0.0 111.005 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt -53.65 -56.53 16.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 109.374 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.579 ' CZ ' ' HB2' ' A' ' 59' ' ' ALA . 1.9 ttt180 -65.04 -31.26 72.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.116 . . . . 0.0 110.306 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.7 tppt? -72.34 -28.03 62.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.526 ' HB3' HD22 ' A' ' 70' ' ' LEU . 1.1 mtm -70.67 -52.91 17.99 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.477 1.11 . . . . 0.0 111.035 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.075 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -66.67 -32.11 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.393 1.058 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 2.6 mm-40 -48.48 -47.5 38.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.88 -40.57 68.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.082 . . . . 0.0 110.362 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 11' ' ' MET . 54.7 t -46.41 -73.52 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -44.69 -42.66 7.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.953 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 39.5 m-20 -60.45 -56.72 18.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.253 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 t -54.87 -60.79 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.715 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.6 mt -40.98 -52.39 3.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -56.09 -60.7 3.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 1.099 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.0 t -51.14 -35.4 35.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.026 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -65.26 -51.24 62.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.142 . . . . 0.0 110.253 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.36 -31.76 73.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.264 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.2 mt -77.21 -31.78 55.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.04 55.33 9.42 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.507 1.13 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.65 169.89 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.452 0.737 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.49 20.29 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.1 m -157.08 160.53 38.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 110.086 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 93.1 t -89.91 106.29 17.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.319 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -91.75 156.43 42.79 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 109.228 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.428 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.512 1.796 . . . . 0.0 111.008 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.871 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -120.14 98.58 48.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 0.0 109.349 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 82.11 2.06 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.409 1.741 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.578 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.1 m-85 -55.46 -50.36 70.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -39.63 -29.4 0.06 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.1 mtt180 -96.91 -66.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.9 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.67 -32.26 1.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 109.293 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.3 mt -63.97 -45.17 90.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.251 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -58.89 -46.98 86.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.18 106.27 50.3 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.33 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -30.03 7.57 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.497 1.788 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -76.01 -43.89 20.55 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.4 1.063 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD23 HD22 ' A' ' 37' ' ' LEU . 10.2 tp -43.14 -42.36 4.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.597 0.822 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.9 HD23 HD13 ' A' ' 37' ' ' LEU . 6.3 tp -160.86 112.92 1.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.321 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.84 127.8 52.8 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG21 ' CD1' ' A' ' 55' ' ' PHE . 85.7 t -87.34 121.88 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -119.73 165.91 13.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 69.88 29.67 70.77 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.483 1.114 . . . . 0.0 111.027 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HB3' ' HD2' ' A' ' 50' ' ' PRO . 8.5 mt -63.65 166.78 8.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.905 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.99 7.12 3.0 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 60.9 145.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.356 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.96 29.95 70.44 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.461 1.1 . . . . 0.0 110.973 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.905 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.0 mt -141.63 -172.13 3.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 0.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -144.89 134.76 23.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -59.23 109.22 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 111.048 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -164.39 169.35 17.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.578 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 8.9 mmt85 -38.98 147.56 0.28 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.542 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.91 -15.29 21.05 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.04 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 9' ' ' ARG . . . -85.34 -26.17 26.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.418 1.074 . . . . 0.0 109.291 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -79.5 -22.87 43.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -67.59 165.54 16.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.565 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.65 -178.77 1.26 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.585 1.178 . . . . 0.0 109.29 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.565 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.0 Cg_endo -75.01 -50.0 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.488 1.783 . . . . 0.0 110.928 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -21.72 64.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -67.24 -57.97 5.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.075 HD22 HG11 ' A' ' 12' ' ' VAL . 51.6 mt -48.17 -43.05 31.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.536 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.6 mtm -65.31 -33.39 75.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.56 1.163 . . . . 0.0 111.043 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.432 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -78.74 -27.64 44.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 66' ' ' LEU . 16.6 mt -71.8 -44.12 68.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.6 mt -70.13 -29.5 66.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -79.65 -41.82 26.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.269 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.522 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 12.7 m-70 -86.05 -11.1 53.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.626 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.482 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.4 OUTLIER -46.02 -36.03 5.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.964 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -51.06 -21.68 1.99 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.568 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.521 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 4.5 mtp180 -104.52 -38.44 6.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.715 HG22 ' CD1' ' A' ' 19' ' ' LEU . 39.5 mt -40.18 121.66 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.8 mtm180 -141.04 131.03 24.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.266 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 19' ' ' LEU . 3.5 m-85 -86.74 143.49 27.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.38 116.9 18.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.5 mt -91.34 153.48 19.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 140.99 20.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 19.2 mtp180 -133.67 131.84 21.42 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.294 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.24 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.513 1.796 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.42 -54.99 0.26 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.051 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -121.57 -63.6 1.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 109.989 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.36 83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.477 1.111 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 178.98 6.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 110.977 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.59 119.85 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.964 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.4 p -109.47 154.01 23.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.955 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.12 104.19 16.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 0.758 . . . . 0.0 110.012 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.8 p -125.5 127.63 46.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 110.07 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.31 178.1 0.06 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.438 1.087 . . . . 0.0 110.974 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -111.99 117.13 31.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 0.76 . . . . 0.0 110.007 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.99 160.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . -152.47 174.66 31.33 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.755 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt -94.79 -59.32 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 0.782 . . . . 0.0 109.359 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.485 ' N ' HD13 ' A' ' 66' ' ' LEU . 8.6 tmm_? -68.48 -28.72 67.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.426 1.079 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.81 -36.35 70.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.56 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.36 -59.98 3.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.962 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.033 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -57.32 -33.93 44.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 10' ' ' LYS . 4.5 mm-40 -47.38 -44.58 24.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.42 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -78.03 -41.56 35.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 37.8 t -44.0 -71.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.524 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.4 m-85 -45.43 -33.16 2.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 0.4 OUTLIER -71.52 -61.15 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.324 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.4 t -47.43 -54.72 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.696 ' CD1' HG22 ' A' ' 76' ' ' ILE . 13.3 mt -51.77 -53.03 44.31 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 37.7 t80 -56.43 -52.54 64.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 111.047 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -57.36 -39.29 75.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -62.88 -46.25 88.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.328 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.69 -29.22 67.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.596 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 5.2 mt -74.6 -26.38 59.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.347 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.88 35.49 79.55 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -88.2 177.0 7.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 0.743 . . . . 0.0 110.297 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.0 -47.82 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.429 1.081 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.0 m -98.79 162.91 12.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 110.041 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 53.6 t -84.91 113.4 23.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.1 m -97.02 156.41 36.4 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.463 1.102 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.2 Cg_endo -75.05 170.57 20.13 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.468 1.773 . . . . 0.0 111.034 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD12 ' A' ' 37' ' ' LEU . 2.6 tp -113.24 101.94 54.15 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.96 2.77 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' CZ ' ' HD3' ' A' ' 58' ' ' PRO . 78.2 m-85 -54.64 -55.52 28.74 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' TYR . 9.7 pt-20 -38.28 -30.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.443 1.089 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.4 mmt180 -92.02 -66.28 0.94 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.926 HD13 HD23 ' A' ' 44' ' ' LEU . 3.7 mt -43.85 -38.18 3.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 61.3 mt -57.71 -45.42 85.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 50.6 ttt-85 -51.94 -43.51 63.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.596 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -120.12 103.78 44.58 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.314 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -24.75 12.51 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.42 -33.31 56.57 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.547 1.154 . . . . 0.0 111.054 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.596 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.6 tp -57.26 -42.19 81.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 0.746 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.926 HD23 HD13 ' A' ' 37' ' ' LEU . 4.4 tp -152.7 112.01 3.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.44 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.02 122.92 45.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.609 HG21 ' CE1' ' A' ' 55' ' ' PHE . 44.6 t -86.38 115.46 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 109.36 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 59.0 mm-40 -111.35 166.28 11.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.342 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.15 29.5 73.38 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.1 mt -76.8 166.02 48.01 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.529 0.781 . . . . 0.0 109.28 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HA ' ' ND1' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.98 100.37 1.35 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.056 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 50' ' ' PRO . 47.1 mt-10 -31.55 146.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.13 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.68 42.38 47.15 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.479 1.112 . . . . 0.0 111.043 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.471 ' CD1' ' HG2' ' A' ' 50' ' ' PRO . 11.4 mt -154.8 -169.81 3.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 0.0 109.356 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -152.4 141.61 21.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.609 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.8 t80 -60.65 115.35 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 0.0 111.074 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.1 OUTLIER -163.73 168.36 19.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 2.4 mtt180 -44.08 151.05 0.56 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -16.62 20.2 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.486 1.782 . . . . 0.0 111.026 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -17.78 27.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -88.03 -17.81 30.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 110.256 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -73.02 166.28 23.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 110.97 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.844 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.72 -178.66 1.22 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.562 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -74.97 -45.89 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.47 1.774 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -23.39 62.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.396 1.06 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.844 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -66.07 -55.55 16.01 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.158 . . . . 0.0 109.309 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.033 HD22 HG11 ' A' ' 12' ' ' VAL . 60.0 mt -51.76 -43.3 62.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 109.263 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.548 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 26.8 mtm -65.13 -29.77 70.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -83.05 -27.28 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.574 1.171 . . . . 0.0 109.355 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.781 HD12 ' HA ' ' A' ' 66' ' ' LEU . 15.4 mt -70.65 -44.97 76.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.59 1.182 . . . . 0.0 109.26 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -62.57 -37.59 86.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.152 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -73.74 -45.52 51.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 110.347 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.53 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 14.1 m-70 -76.84 -11.11 59.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.591 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -53.75 -15.77 1.41 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.956 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.407 ' N ' ' C ' ' A' ' 72' ' ' HIS . 11.6 p-80 -68.42 -18.84 64.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.603 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.483 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -117.15 -29.96 5.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 110.374 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.696 HG22 ' CD1' ' A' ' 19' ' ' LEU . 20.9 mt -40.57 112.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.77 141.29 47.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.2 m-85 -95.61 150.45 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.998 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.492 ' O ' HD12 ' A' ' 44' ' ' LEU . 4.6 mmmt -135.19 116.62 14.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.294 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HB2' ' A' ' 44' ' ' LEU . 17.8 mt -96.83 147.66 23.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.252 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -53.23 166.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -42.7 147.17 0.65 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 158.74 42.19 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.039 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.23 135.53 46.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.9 t -67.11 136.85 55.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.048 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.4 -162.52 35.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 176.32 10.08 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.519 1.8 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 46.7 t -127.79 127.87 44.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.554 1.159 . . . . 0.0 110.011 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 43.09 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.57 1.169 . . . . 0.0 109.974 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.554 1.159 . . . . 0.0 111.011 179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 73.1 m -156.22 110.22 2.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.424 0.72 . . . . 0.0 109.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m 66.61 -71.82 0.09 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 162.21 121.04 0.55 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.505 1.128 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.96 138.79 18.59 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 0.769 . . . . 0.0 109.985 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.7 m -153.28 149.73 28.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 109.968 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 131.17 135.37 3.76 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.459 1.1 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.9 mt -56.57 -55.42 34.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.533 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.1 ttt180 -63.32 -30.95 72.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -75.29 -30.69 60.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.5 OUTLIER -65.13 -51.59 60.31 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.094 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -68.5 -33.71 61.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.367 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.2 mm-40 -45.59 -49.28 14.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 4.4 pt-20 -72.23 -36.25 69.06 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 37.9 t -53.92 -70.75 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.539 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.5 m-85 -45.7 -25.97 0.57 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.474 1.109 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' CG ' ' HA ' ' A' ' 31' ' ' PRO . 9.3 m-20 -80.54 -65.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.228 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -41.55 -47.86 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.622 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.7 mt -59.69 -53.13 61.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.473 ' CZ ' HD11 ' A' ' 24' ' ' LEU . 21.2 t80 -55.12 -47.81 74.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -39.84 95.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.35 -51.32 70.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.29 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.02 -25.68 67.95 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.412 1.07 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD11 ' CZ ' ' A' ' 20' ' ' TYR . 6.2 mt -78.57 -25.33 45.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.98 33.31 70.0 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -87.29 179.49 6.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.336 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.81 -45.85 5.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.9 m -93.91 161.97 14.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -87.35 111.25 21.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.1 m -94.9 154.7 39.71 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 17' ' ' ASP . 18.1 Cg_endo -75.01 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.557 1.82 . . . . 0.0 111.004 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -116.49 101.21 53.76 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.37 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 76.85 3.27 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.974 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.568 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 95.4 m-85 -51.38 -55.04 20.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.5 pt-20 -38.71 -30.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.268 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -92.95 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.349 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.884 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -43.85 -38.48 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HB3' ' A' ' 34' ' ' TYR . 70.8 mt -58.3 -45.1 88.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 36' ' ' ARG . 56.9 ttt180 -53.25 -44.15 67.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.499 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.9 pt-20 -118.67 103.59 48.42 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.562 1.164 . . . . 0.0 110.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -20.95 16.22 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.466 1.772 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -77.05 -32.88 47.32 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.471 1.107 . . . . 0.0 110.966 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.499 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.6 tp -58.29 -42.25 86.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.884 HD23 HD13 ' A' ' 37' ' ' LEU . 6.1 tp -155.55 114.36 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.565 1.166 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -107.78 128.43 54.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.601 HG12 ' HG ' ' A' ' 49' ' ' LEU . 97.7 t -90.35 119.46 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -114.81 162.31 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.06 31.77 75.62 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.588 1.18 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.601 ' HG ' HG12 ' A' ' 46' ' ' VAL . 3.7 mt -72.42 164.91 56.02 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.448 0.734 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.76 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -75.02 106.31 2.25 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.49 1.784 . . . . 0.0 111.02 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 50' ' ' PRO . 35.0 mt-10 -32.97 144.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.26 50.15 23.19 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.76 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -160.79 -169.69 2.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 0.731 . . . . 0.0 109.345 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.08 138.93 14.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -57.67 108.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 110.986 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 1.3 ptp85 -164.05 165.59 22.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.568 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 4.7 mtt180 -36.79 153.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 110.369 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.708 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -74.94 -18.62 18.74 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -84.36 -36.61 22.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.582 1.176 . . . . 0.0 109.298 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -66.6 -13.01 60.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -82.5 163.11 21.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.394 1.059 . . . . 0.0 111.035 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.794 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -83.2 -178.4 1.18 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' O ' ' HE2' ' A' ' 67' ' ' MET . 18.2 Cg_endo -74.95 -45.73 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.502 1.79 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.84 -20.75 62.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.794 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -70.25 -55.8 8.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.094 HD22 HG11 ' A' ' 12' ' ' VAL . 52.9 mt -50.92 -41.69 58.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.508 1.13 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.575 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.8 mtm -68.27 -29.08 67.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 1.18 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.457 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -80.94 -23.97 38.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.719 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -77.93 -41.21 27.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 4.6 mt -69.19 -23.58 63.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -88.12 -39.29 14.68 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 110.317 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.475 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 10.8 m170 -86.69 -10.74 53.07 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.621 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.83 -20.21 2.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -70.44 -21.65 62.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 109.626 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.7 ptm180 -113.76 -0.89 14.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.622 HG22 ' CD1' ' A' ' 19' ' ' LEU . 22.2 mt -74.4 124.03 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.156 . . . . 0.0 109.354 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -135.91 136.45 40.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.294 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.465 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.0 m-85 -94.22 151.31 19.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 111.065 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.51 ' O ' HD12 ' A' ' 44' ' ' LEU . 5.5 mmmt -134.19 116.23 15.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 80' ' ' LEU . 22.4 mt -93.13 161.94 14.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.261 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 82' ' ' ARG . 2.5 tttt -79.32 -89.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 0.0 109.325 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 81' ' ' LYS . 1.4 mtm180 -37.87 151.41 0.16 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.308 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -172.29 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.54 1.81 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.9 m 62.13 135.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 110.017 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m 58.39 99.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.019 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -133.6 -163.62 10.48 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.503 1.127 . . . . 0.0 111.065 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.16 8.97 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.564 1.823 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 33.0 p 179.85 142.42 0.15 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.05 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.3 m -95.93 117.73 31.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.027 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.946 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -106.94 104.84 14.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.552 0.795 . . . . 0.0 109.942 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.5 m -114.2 118.69 34.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 109.956 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.18 82.63 1.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.548 1.155 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -147.75 152.99 38.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 0.744 . . . . 0.0 110.022 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.2 p -146.78 150.82 36.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 139.79 130.83 2.73 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.521 1.138 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.499 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.2 mt -56.64 -62.88 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 0.749 . . . . 0.0 109.334 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.493 ' N ' HD13 ' A' ' 66' ' ' LEU . 9.2 ttm180 -58.61 -28.88 66.02 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.113 . . . . 0.0 110.261 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -74.93 -33.37 61.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.34 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.49 ' HB3' ' CD2' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -64.64 -57.72 8.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.051 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.097 HG11 HD22 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -60.93 -36.2 70.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -44.27 -47.26 9.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.0 pt-20 -74.38 -40.15 62.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 39.6 t -47.17 -67.41 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.554 ' HB3' HD23 ' A' ' 32' ' ' LEU . 6.7 m-85 -51.11 -30.27 15.78 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.92 -55.12 8.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 4.4 t -54.28 -62.48 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.16 . . . . 0.0 109.379 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.697 ' CD1' HG22 ' A' ' 76' ' ' ILE . 15.6 mt -44.15 -56.61 3.94 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.414 1.071 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.531 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 16.5 t80 -48.69 -58.56 4.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.3 OUTLIER -54.64 -46.25 73.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 110.084 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.46 -45.12 55.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.1 -29.23 65.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.2 mt -76.37 -25.2 54.38 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.53 51.97 28.39 Favored Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.459 1.1 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.433 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -103.81 167.18 9.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 110.295 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.45 16.24 20.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.409 1.068 . . . . 0.0 109.333 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.6 172.55 16.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.572 1.17 . . . . 0.0 109.924 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.1 t -99.82 106.96 19.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.4 HG22 ' OG ' ' A' ' 21' ' ' SER . 3.9 m -93.61 155.83 40.25 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.351 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 167.55 26.76 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -113.8 100.29 51.9 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 74.08 4.06 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.516 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.7 m-85 -48.57 -52.14 24.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.0 pt-20 -38.73 -30.46 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.269 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -95.08 -68.75 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 110.295 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.985 HD13 HD23 ' A' ' 44' ' ' LEU . 3.5 mt -41.77 -31.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.367 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 34' ' ' TYR . 82.1 mt -66.14 -51.7 55.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' ARG . 57.6 ttt180 -46.33 -41.67 13.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.586 ' CD ' HD22 ' A' ' 43' ' ' LEU . 2.0 pt-20 -121.34 104.5 40.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -22.61 14.68 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.479 1.778 . . . . 0.0 111.02 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.44 -37.01 42.43 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 110.962 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.586 HD22 ' CD ' ' A' ' 40' ' ' GLU . 13.5 tp -53.42 -41.96 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 0.743 . . . . 0.0 109.251 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.985 HD23 HD13 ' A' ' 37' ' ' LEU . 5.0 tp -155.86 113.72 3.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.46 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -103.27 128.23 50.36 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.75 HG21 ' CE1' ' A' ' 55' ' ' PHE . 59.6 t -89.59 114.43 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.336 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -110.55 166.76 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.257 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.86 29.6 74.91 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.515 ' HG ' HG12 ' A' ' 46' ' ' VAL . 6.1 mt -74.15 165.99 48.55 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.615 ' HB3' ' CD2' ' A' ' 72' ' ' HIS . 18.4 Cg_endo -74.97 101.75 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.0 pt-20 -31.71 145.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 110.341 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.04 41.69 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.548 1.155 . . . . 0.0 110.999 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.569 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.5 mt -156.82 -169.63 3.04 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.11 137.43 16.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.75 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.4 t80 -58.9 111.85 1.44 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 60' ' ' GLU . 0.2 OUTLIER -164.09 162.98 23.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.49 1.119 . . . . 0.0 110.342 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 6.6 mtt-85 -38.32 148.88 0.23 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.113 . . . . 0.0 110.31 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -20.45 16.81 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.485 1.782 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.23 -4.83 59.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' O ' ' NH1' ' A' ' 56' ' ' ARG . 2.1 mt-10 -105.65 -8.81 17.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.63 171.3 15.33 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.954 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.704 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.7 -179.24 1.32 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.06 -51.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.804 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -66.72 -23.86 66.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.166 . . . . 0.0 109.312 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.704 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.75 -60.34 3.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.097 HD22 HG11 ' A' ' 12' ' ' VAL . 61.1 mt -46.48 -50.09 17.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.768 ' HA ' HD12 ' A' ' 70' ' ' LEU . 23.2 mtm -56.16 -41.38 75.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 110.995 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HB1' ' CD2' ' A' ' 72' ' ' HIS . . . -69.71 -43.86 71.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 66' ' ' LEU . 18.8 mt -51.69 -47.33 38.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.768 HD12 ' HA ' ' A' ' 67' ' ' MET . 0.9 OUTLIER -61.74 -25.5 67.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -86.14 -50.35 7.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.303 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.615 ' CD2' ' HB3' ' A' ' 50' ' ' PRO . 89.9 m-70 -72.53 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.676 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.456 ' HA ' ' CG1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -54.54 -15.15 1.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -68.7 -21.18 64.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 109.609 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.502 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 7.1 ptm180 -113.59 -28.21 7.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.697 HG22 ' CD1' ' A' ' 19' ' ' LEU . 23.3 mt -43.36 115.61 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.301 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.76 136.76 37.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.14 150.15 21.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.515 1.134 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.48 ' O ' HD12 ' A' ' 44' ' ' LEU . 7.3 mmmt -134.95 118.08 16.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.3 mt -92.7 150.4 20.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.81 -61.49 2.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.562 1.164 . . . . 0.0 109.326 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.85 149.47 77.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.299 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 119.4 5.65 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.537 1.809 . . . . 0.0 111.035 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.6 t -58.93 140.88 54.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 109.971 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.9 t -77.98 -48.38 16.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 110.025 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -118.1 100.49 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 159.03 42.11 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.517 1.798 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 89' ' ' SER . 13.0 t -79.23 143.93 34.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.945 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 88' ' ' SER . 24.1 m 58.02 158.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.51 1.131 . . . . 0.0 111.002 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 40.07 85.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 0.755 . . . . 0.0 110.026 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.26 116.73 5.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.132 . . . . 0.0 110.059 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 98.16 0.19 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.462 1.101 . . . . 0.0 111.038 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -155.07 110.12 3.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 0.747 . . . . 0.0 109.987 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.8 m 61.27 160.91 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.29 104.43 2.94 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.546 1.154 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.6 mt -74.86 -62.03 1.68 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.587 0.816 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 9.3 tmm_? -58.81 -26.18 63.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.534 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -78.06 -32.56 50.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.112 . . . . 0.0 109.266 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.614 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.3 OUTLIER -66.23 -61.33 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.984 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.993 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.99 -31.23 36.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -51.11 -44.58 61.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 15' ' ' VAL . 3.7 pt-20 -76.58 -40.08 50.72 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 110.357 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 14' ' ' GLU . 31.6 t -47.27 -71.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.432 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.0 m-85 -43.97 -41.72 5.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 111.036 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -63.76 -59.79 4.11 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 1.125 . . . . 0.0 109.262 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 5.2 t -47.37 -58.96 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD1' HG22 ' A' ' 76' ' ' ILE . 12.4 mt -49.32 -57.34 7.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.52 1.138 . . . . 0.0 109.244 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.517 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.0 t80 -50.02 -52.11 36.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.6 OUTLIER -58.05 -42.72 86.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.989 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -55.53 -49.68 71.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -32.82 74.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.72 -27.19 58.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 69.0 37.49 83.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.413 1.071 . . . . 0.0 110.967 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -87.06 163.3 17.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 0.776 . . . . 0.0 110.321 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.08 17.01 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.54 171.97 17.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.021 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.8 t -102.12 106.88 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.0 m -93.66 158.9 35.88 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 165.44 31.32 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.538 1.81 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.855 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.6 tp -111.69 98.1 39.79 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.576 1.172 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 74.59 3.93 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.59 1.837 . . . . 0.0 111.033 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 96.7 m-85 -47.44 -54.83 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 110.995 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 34' ' ' TYR . 10.4 pt-20 -38.69 -30.71 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.452 1.095 . . . . 0.0 110.244 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.2 mmt180 -93.32 -68.69 0.79 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.218 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.99 HD13 HD23 ' A' ' 44' ' ' LEU . 3.3 mt -41.79 -32.84 0.44 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.487 1.117 . . . . 0.0 109.23 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 34' ' ' TYR . 59.6 mt -65.51 -51.34 60.65 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.452 1.095 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 36' ' ' ARG . 16.1 tpp85 -42.74 -51.6 5.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.345 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.37 104.93 53.03 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -22.03 15.13 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.438 1.757 . . . . 0.0 110.985 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -73.98 -27.54 66.38 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.086 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.433 HD12 ' HD2' ' A' ' 81' ' ' LYS . 9.4 tp -65.03 -42.46 94.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.443 0.731 . . . . 0.0 109.284 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.99 HD23 HD13 ' A' ' 37' ' ' LEU . 2.9 tp -157.26 110.54 2.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -102.92 127.93 49.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 49' ' ' LEU . 42.8 t -87.72 118.28 33.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -114.34 163.83 14.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 67.65 30.7 74.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.542 1.151 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 46' ' ' VAL . 8.5 mt -75.24 165.36 54.41 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.853 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -74.92 122.21 7.1 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.421 1.748 . . . . 0.0 111.004 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -46.74 141.05 4.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.35 57.49 6.72 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.493 1.12 . . . . 0.0 111.074 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.853 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -162.82 -169.66 2.13 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.438 0.728 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -157.92 136.36 11.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.537 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -59.28 109.49 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.098 . . . . 0.0 110.999 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -164.23 174.45 11.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.279 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.572 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.7 mmt85 -45.29 144.88 2.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 110.291 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.2 Cg_endo -74.99 -12.42 21.52 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.519 1.799 . . . . 0.0 110.927 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.69 -12.03 40.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.144 . . . . 0.0 109.249 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -96.23 -13.63 23.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.585 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.6 OUTLIER -76.39 165.79 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.53 -178.73 1.22 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.57 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.98 -44.87 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.534 1.807 . . . . 0.0 111.049 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -23.32 62.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.716 ' HB1' HD11 ' A' ' 53' ' ' LEU . . . -68.07 -59.25 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 109.262 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.993 HD22 HG11 ' A' ' 12' ' ' VAL . 56.2 mt -46.85 -41.81 16.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.278 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.512 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 28.9 mtm -69.18 -31.51 70.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.512 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -77.97 -23.43 48.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.6 mt -76.03 -44.1 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.354 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.614 HD21 ' HB3' ' A' ' 11' ' ' MET . 2.6 mt -65.37 -32.13 73.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -78.72 -40.12 34.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.29 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 13.0 m-70 -83.6 -10.31 58.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.633 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.8 OUTLIER -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.982 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' C ' ' A' ' 72' ' ' HIS . 14.0 p-80 -68.66 -17.86 64.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.56 1.162 . . . . 0.0 109.589 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 2.9 ptm180 -118.37 -31.43 4.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.627 HG22 ' CD1' ' A' ' 19' ' ' LEU . 10.9 mt -40.3 115.46 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.2 mtt180 -140.0 138.74 35.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.581 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.7 m-85 -91.82 154.26 19.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 111.028 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.4 mmmt -135.45 116.43 14.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 1.086 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.475 HD23 ' HB2' ' A' ' 44' ' ' LEU . 22.3 mt -93.67 146.84 23.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HD2' HD12 ' A' ' 43' ' ' LEU . 0.0 OUTLIER -45.46 134.66 6.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.58 155.71 9.99 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.343 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 128.12 11.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.53 1.805 . . . . 0.0 110.999 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -55.39 18.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.016 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 54.15 88.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.052 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.59 172.3 15.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 137.92 22.47 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 p -151.94 -48.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.455 1.097 . . . . 0.0 109.967 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 56.89 -173.53 0.07 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 109.945 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.419 1.075 . . . . 0.0 110.97 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 m 44.44 83.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.993 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.51 109.12 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.494 1.121 . . . . 0.0 109.93 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.45 -127.4 9.17 Favored Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.482 1.114 . . . . 0.0 110.967 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p 175.64 -45.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 0.766 . . . . 0.0 110.004 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 p -86.05 141.38 29.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.77 176.85 34.3 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.958 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 12' ' ' VAL . 9.4 mt -94.43 -55.28 3.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 0.755 . . . . 0.0 109.337 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.499 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.0 ttp180 -66.94 -32.28 73.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -67.12 -33.2 74.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD21 ' A' ' 70' ' ' LEU . 3.5 mtm -68.68 -57.04 6.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.011 HG11 HD22 ' A' ' 66' ' ' LEU . 1.1 p -61.35 -28.92 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.341 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.499 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.5 mm-40 -52.43 -46.78 66.52 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.414 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 6.3 pt-20 -75.96 -41.17 52.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 110.249 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.414 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 32.5 t -44.5 -69.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' HD23 ' A' ' 32' ' ' LEU . 5.9 m-85 -47.53 -37.96 13.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.34 -58.92 4.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.8 t -49.25 -54.56 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.605 ' CD1' HG22 ' A' ' 76' ' ' ILE . 14.7 mt -53.35 -56.09 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.283 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.502 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 16.2 t80 -49.16 -51.47 32.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.412 ' O ' ' N ' ' A' ' 25' ' ' GLY . 0.2 OUTLIER -60.11 -44.94 94.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -51.69 -49.54 62.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 110.263 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.48 75.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.502 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 4.1 mt -72.86 -23.37 60.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 68.35 46.69 62.38 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.397 1.06 . . . . 0.0 111.028 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.54 177.46 5.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -98.6 -42.64 7.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 m -96.64 167.3 11.21 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.1 t -92.56 105.45 16.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -88.54 159.2 47.34 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.085 . . . . 0.0 109.269 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 175.9 10.62 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.529 1.805 . . . . 0.0 110.981 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.813 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -122.34 101.53 40.77 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 79.76 2.59 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.517 1.798 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.527 ' HB3' HD11 ' A' ' 38' ' ' LEU . 75.1 m-85 -53.96 -49.89 67.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 111.044 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -43.62 -32.66 1.01 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -90.39 -66.15 0.95 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.294 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.991 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -44.6 -42.75 7.63 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.542 1.152 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 34' ' ' TYR . 69.3 mt -56.04 -41.39 74.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 36' ' ' ARG . 20.8 ttt85 -62.91 -47.68 82.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.399 1.062 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.92 105.15 50.11 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.28 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -35.41 3.11 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.466 1.771 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.97 -40.02 73.93 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 tp -48.69 -42.17 33.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 0.732 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.991 HD23 HD13 ' A' ' 37' ' ' LEU . 3.7 tp -161.83 116.04 1.91 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.334 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -109.69 128.35 55.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.552 HG21 ' CE1' ' A' ' 55' ' ' PHE . 58.9 t -87.73 114.33 26.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -110.14 165.92 11.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 0.0 110.21 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.07 33.77 88.01 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.502 1.126 . . . . 0.0 111.007 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -74.72 165.12 56.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.461 0.742 . . . . 0.0 109.261 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.773 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.1 Cg_endo -75.03 106.65 2.32 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.532 1.806 . . . . 0.0 110.977 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 20.0 mt-10 -33.43 144.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.01 50.9 21.05 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.584 1.177 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.773 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.3 mt -160.96 -170.37 2.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 0.752 . . . . 0.0 109.263 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -156.34 138.13 14.29 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.426 1.079 . . . . 0.0 109.283 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.552 ' CE1' HG21 ' A' ' 46' ' ' VAL . 11.4 t80 -57.92 108.34 0.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.2 OUTLIER -163.92 167.36 20.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 56' ' ' ARG . 5.2 mtt-85 -36.76 149.04 0.17 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.671 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -18.5 18.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -84.8 -34.34 22.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.175 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -67.99 -23.89 65.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.249 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.528 ' CE1' HD13 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -67.57 166.38 15.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.734 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -84.68 -178.78 1.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.561 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -75.03 -50.23 0.13 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.528 1.804 . . . . 0.0 110.956 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -23.83 65.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.318 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.734 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -66.43 -57.74 6.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.278 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.011 HD22 HG11 ' A' ' 12' ' ' VAL . 72.7 mt -48.91 -45.45 41.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.609 ' HA ' HD12 ' A' ' 70' ' ' LEU . 29.8 mtm -63.77 -30.91 71.95 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.54 1.15 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.92 -30.49 40.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.579 1.175 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.913 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.5 mt -68.35 -39.7 81.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.371 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 67' ' ' MET . 2.1 mt -69.27 -28.63 66.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -81.26 -40.59 23.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.465 ' O ' ' CG ' ' A' ' 75' ' ' ARG . 9.6 m170 -86.47 -11.28 52.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.586 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.65 -19.8 1.74 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.984 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -71.12 -21.25 62.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.564 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CG ' ' O ' ' A' ' 72' ' ' HIS . 4.2 ptm180 -114.35 -2.62 13.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.25 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 ' CD1' ' A' ' 19' ' ' LEU . 13.4 mt -73.63 117.67 17.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.595 1.184 . . . . 0.0 109.341 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 12.6 mtt-85 -134.52 139.06 45.16 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.209 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -91.33 151.06 21.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.955 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.453 ' O ' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -131.27 116.3 17.44 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.123 . . . . 0.0 109.267 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.574 HD23 ' HB2' ' A' ' 44' ' ' LEU . 24.9 mt -94.4 147.73 22.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.02 135.4 9.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.083 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 137.54 6.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 69.15 5.64 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -111.48 168.71 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 65.5 p -112.68 84.19 1.94 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.954 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.43 94.08 0.34 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.513 1.133 . . . . 0.0 111.027 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -40.31 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.496 1.788 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.3 92.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.95 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.59 108.83 20.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.393 1.058 . . . . 0.0 110.001 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -162.56 108.43 1.21 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.554 0.796 . . . . 0.0 110.036 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 66.44 121.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.058 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.93 -83.39 1.12 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.523 1.14 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.8 t 58.57 159.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 0.725 . . . . 0.0 109.96 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -75.01 -179.32 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.986 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 112.75 118.85 3.59 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.516 1.135 . . . . 0.0 111.046 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.719 ' O ' HG12 ' A' ' 12' ' ' VAL . 6.3 mt -53.11 -49.81 65.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 0.759 . . . . 0.0 109.219 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.603 ' HD3' HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -63.96 -53.06 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.441 1.088 . . . . 0.0 110.276 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -60.03 -22.13 62.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.255 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.463 ' HB2' ' O ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -74.92 -48.53 24.12 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.945 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -80.28 -16.6 12.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.571 1.169 . . . . 0.0 109.329 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 9' ' ' ARG . 23.5 mt-10 -57.42 -52.93 63.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -67.29 -33.67 75.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 11' ' ' MET . 53.9 t -53.42 -65.86 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.65 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.2 m-85 -55.21 -17.69 4.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 111.016 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -85.91 -48.43 8.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.242 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.1 t -63.12 -61.13 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.575 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 21.0 mt -40.35 -47.38 2.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.76 -61.47 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.4 t -50.43 -36.51 33.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 110.024 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -60.04 -46.16 90.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.266 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.13 -29.68 65.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.095 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.9 mt -75.97 -23.73 55.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.21 43.82 92.25 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.44 178.55 5.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 0.754 . . . . 0.0 110.241 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.1 -43.56 7.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.3 m -97.27 160.86 14.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.05 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 76.0 t -85.97 114.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.566 1.166 . . . . 0.0 109.2 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.4 m -97.49 155.84 36.83 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 176.12 10.32 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.458 1.767 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.77 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.1 tp -118.7 101.71 50.33 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 69.81 5.46 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' A' ' 32' ' ' LEU . 84.6 m-85 -45.55 -48.14 14.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.965 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -45.98 -30.38 1.78 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 110.294 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' ARG . 4.4 mtm180 -91.6 -65.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.312 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.92 HD13 HD23 ' A' ' 44' ' ' LEU . 3.2 mt -45.14 -40.29 6.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.113 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 34' ' ' TYR . 67.7 mt -59.51 -41.98 91.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ARG . 49.2 ttt180 -58.81 -45.86 88.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.288 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -118.81 103.87 47.72 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.155 . . . . 0.0 110.303 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -25.25 12.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.515 1.797 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.48 -24.81 76.4 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.086 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.13 -42.05 80.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 0.787 . . . . 0.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.92 HD23 HD13 ' A' ' 37' ' ' LEU . 1.6 tp -155.09 116.63 4.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.088 . . . . 0.0 109.302 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.622 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -104.25 133.83 48.5 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 55' ' ' PHE . 46.8 t -97.28 117.99 42.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -116.76 166.83 11.68 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 110.355 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.75 31.36 79.58 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.517 1.136 . . . . 0.0 110.96 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' HG ' HG12 ' A' ' 46' ' ' VAL . 7.9 mt -76.2 165.32 53.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.506 0.768 . . . . 0.0 109.277 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.829 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.3 Cg_endo -75.0 103.68 1.77 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.377 1.725 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' C ' ' O ' ' A' ' 50' ' ' PRO . 72.4 mt-10 -32.02 144.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.565 1.166 . . . . 0.0 110.323 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.85 51.68 18.27 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.829 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.6 mt -160.3 -170.25 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 0.823 . . . . 0.0 109.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.441 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -153.97 138.19 16.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 109.25 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.573 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.1 t80 -57.66 108.77 0.6 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.476 1.11 . . . . 0.0 111.033 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.441 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.37 158.47 18.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.478 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 7.9 mtt85 -37.38 152.6 0.12 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.637 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.02 -23.63 13.57 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.511 1.795 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.499 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . . . -81.16 -11.57 59.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.437 1.086 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -99.92 -9.2 23.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.89 174.46 11.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.105 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.65 ' OD1' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.0 -178.65 1.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.368 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.554 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.02 -55.68 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.527 1.804 . . . . 0.0 110.971 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -65.98 -20.59 66.25 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.65 ' HB2' ' OD1' ' A' ' 62' ' ' ASP . . . -65.91 -62.23 1.62 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.945 HD22 HG11 ' A' ' 12' ' ' VAL . 38.2 mt -43.75 -51.0 7.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.418 ' HA ' HD12 ' A' ' 70' ' ' LEU . 33.8 mtm -58.54 -34.34 70.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.619 1.199 . . . . 0.0 110.99 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -75.82 -31.44 59.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.3 mt -70.93 -44.25 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.505 ' CD1' HD23 ' A' ' 8' ' ' LEU . 1.6 mt -68.21 -21.71 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.59 1.181 . . . . 0.0 109.256 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -92.4 -38.94 11.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.248 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ALA . 11.3 m170 -85.23 -11.34 55.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.587 1.179 . . . . 0.0 109.627 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.538 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -43.61 -49.88 7.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.985 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.524 ' NE2' ' CG ' ' A' ' 75' ' ' ARG . 1.9 p80 -42.32 -28.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.654 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' CG ' ' NE2' ' A' ' 74' ' ' HIS . 7.3 mtp180 -94.87 -38.05 10.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.591 HD11 HG23 ' A' ' 69' ' ' ILE . 63.8 mt -44.04 125.05 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.55 1.156 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.39 131.44 27.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.32 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 4.6 m-85 -90.09 146.71 24.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.442 1.089 . . . . 0.0 110.991 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.81 116.55 16.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 80' ' ' LEU . 16.7 mt -90.38 158.76 16.95 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -61.9 -23.7 66.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.295 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.86 153.61 39.95 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.334 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 109.98 3.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.788 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 60.7 p -104.13 152.77 21.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.991 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.79 161.21 15.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.966 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.33 92.84 1.85 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.523 1.14 . . . . 0.0 111.047 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -52.74 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.466 1.771 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -146.12 135.81 23.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.4 141.68 0.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 110.024 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.542 1.151 . . . . 0.0 111.037 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -158.18 169.36 24.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 110.011 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -102.81 165.88 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.99 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.61 -99.4 0.12 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.528 1.143 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m 63.36 140.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.568 0.804 . . . . 0.0 109.998 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.76 171.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.977 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 11' ' ' MET . . . 76.5 147.61 2.32 Favored Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.448 1.093 . . . . 0.0 111.012 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.771 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.8 mt -94.32 -57.87 2.38 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.456 0.739 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.515 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.0 tmm_? -66.9 -25.84 66.58 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -76.54 -35.96 57.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.56 ' CE ' HD13 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -64.95 -61.43 2.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 111.019 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.129 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -56.39 -33.96 39.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -47.23 -50.34 21.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 110.336 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 15' ' ' VAL . 3.8 pt-20 -71.34 -43.25 67.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' N ' ' CG ' ' A' ' 14' ' ' GLU . 17.9 t -42.67 -70.77 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -46.03 -36.24 5.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.47 1.106 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -68.26 -63.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.5 t -43.72 -61.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 12.5 mt -43.38 -64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.597 1.186 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.2 t80 -43.69 -49.44 7.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 110.978 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 9.3 m -60.14 -41.07 91.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 109.988 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.52 -46.55 89.75 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 0.0 110.303 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.36 -35.83 78.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 109.256 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 3.6 mt -73.97 -22.36 59.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.252 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 64.77 47.49 82.64 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.563 1.164 . . . . 0.0 111.029 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.88 174.23 6.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.508 0.77 . . . . 0.0 110.322 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -92.46 -46.66 7.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.7 m -93.36 163.15 13.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 17' ' ' ASP . 85.2 t -90.56 102.84 13.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.3 m -83.6 158.02 63.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 178.16 7.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.834 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.3 tp -121.79 98.75 45.16 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.271 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 75.62 3.68 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.46 1.769 . . . . 0.0 110.959 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.7 m-85 -49.24 -49.34 43.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 111.022 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -44.23 -30.2 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.236 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.415 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.5 mtt180 -92.62 -66.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.952 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -44.01 -40.51 4.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 ' HB3' ' A' ' 34' ' ' TYR . 83.5 mt -57.97 -46.56 84.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 36' ' ' ARG . 31.6 ttt180 -58.47 -49.71 76.37 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 110.319 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' OE1' ' C ' ' A' ' 39' ' ' ARG . 0.1 OUTLIER -106.38 103.77 47.32 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.307 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -33.01 4.87 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.429 1.752 . . . . 0.0 110.981 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -66.54 -38.18 93.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.498 1.124 . . . . 0.0 111.032 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.7 -42.78 68.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 0.796 . . . . 0.0 109.233 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.952 HD23 HD13 ' A' ' 37' ' ' LEU . 2.8 tp -162.5 116.43 1.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 109.296 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.556 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -108.99 129.0 55.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.713 HG21 ' CE1' ' A' ' 55' ' ' PHE . 19.8 t -88.83 121.76 39.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -120.73 166.66 13.41 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.51 1.131 . . . . 0.0 110.315 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 65.52 30.98 78.75 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.3 mt -74.17 165.98 48.63 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.455 0.738 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.487 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.07 1.43 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 110.922 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 50' ' ' PRO . 6.4 pt-20 -31.37 145.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 110.364 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.26 44.49 43.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.788 HD22 ' CE1' ' A' ' 61' ' ' TYR . 9.2 mt -156.21 -169.49 3.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.766 . . . . 0.0 109.247 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.43 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.19 136.75 15.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.308 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.713 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.5 t80 -60.34 111.74 1.67 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.523 1.139 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.43 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -164.33 174.21 11.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.33 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.601 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 14.3 mmt180 -46.9 146.38 2.74 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.1 Cg_endo -75.02 -12.55 21.48 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.523 1.801 . . . . 0.0 111.037 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.27 -12.6 37.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -97.61 -13.24 21.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.788 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.4 OUTLIER -74.86 167.86 21.03 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -85.52 -178.19 1.1 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.578 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.2 Cg_endo -74.9 -52.57 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.79 -24.83 67.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -62.75 -61.52 2.35 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.129 HD22 HG11 ' A' ' 12' ' ' VAL . 56.5 mt -45.38 -44.82 12.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.585 1.178 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.526 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 24.6 mtm -65.79 -30.58 71.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 111.016 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.592 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.5 -19.97 41.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 1.152 . . . . 0.0 109.345 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 66' ' ' LEU . 13.4 mt -80.58 -42.6 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.56 HD13 ' CE ' ' A' ' 11' ' ' MET . 3.0 mt -70.88 -25.41 62.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.14 . . . . 0.0 109.262 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -87.44 -31.85 19.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.322 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.1 m-70 -93.05 -11.05 34.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.598 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 69' ' ' ILE . 1.0 OUTLIER -47.85 -29.21 3.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.495 1.122 . . . . 0.0 109.978 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.566 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 36.7 p-80 -57.35 -17.79 14.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.596 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 9.3 mtp180 -110.04 -38.01 5.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.32 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.568 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.7 mt -41.93 122.07 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.11 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.39 127.97 17.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.4 m-85 -82.08 151.25 27.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 111.004 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -134.41 116.01 14.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' HB2' ' A' ' 44' ' ' LEU . 25.6 mt -92.38 150.96 20.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.26 174.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.88 134.34 1.04 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 157.8 42.39 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.416 1.746 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.3 t 179.61 80.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.16 128.04 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.34 148.84 6.1 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.548 1.155 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.83 3.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.39 -58.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 0.0 109.959 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 59.81 107.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.155 . . . . 0.0 109.983 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 O-C-N 124.441 1.088 . . . . 0.0 111.075 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.82 165.47 30.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 0.749 . . . . 0.0 110.037 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 m 64.27 148.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.431 1.082 . . . . 0.0 109.961 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.84 -141.86 7.67 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.13 . . . . 0.0 111.061 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 178.94 167.94 0.93 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -92.69 176.52 6.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.447 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 115.03 120.8 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 0.0 111.009 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.3 mt -51.33 -55.93 15.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.512 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 7.5 ttm180 -66.16 -32.82 74.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 110.25 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.7 tppt? -70.06 -26.75 64.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 0.8 OUTLIER -72.56 -51.32 20.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 110.986 -179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.137 HG11 HD22 ' A' ' 66' ' ' LEU . 1.5 p -70.97 -24.44 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.512 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.4 mm-40 -53.3 -46.0 69.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.17 . . . . 0.0 110.29 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -76.71 -38.21 54.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 11' ' ' MET . 52.0 t -47.47 -71.99 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.56 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -46.75 -34.57 5.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 111.022 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -67.55 -63.55 1.04 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' SER . 2.6 t -48.75 -60.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 109.334 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 11.2 mt -43.31 -56.7 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 17.6 t80 -55.16 -32.24 61.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.997 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.496 ' HB2' ' CD ' ' A' ' 26' ' ' ARG . 11.1 p -73.83 -51.73 15.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.426 1.079 . . . . 0.0 110.017 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.54 -38.7 31.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.81 -25.36 61.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 21' ' ' SER . 11.2 mt -83.69 -38.0 22.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.132 . . . . 0.0 109.286 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.48 52.98 14.05 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.059 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.496 ' CD ' ' HB2' ' A' ' 21' ' ' SER . 0.0 OUTLIER -102.84 -179.54 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 110.363 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.39 -11.19 24.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.366 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' NE ' ' A' ' 26' ' ' ARG . 71.5 m -134.54 149.67 50.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.993 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.5 t -78.95 125.96 38.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.299 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.18 155.03 39.23 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.606 1.191 . . . . 0.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 166.34 29.41 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 111.022 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.82 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -109.59 100.66 43.09 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.392 1.057 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 73.3 4.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.515 1.798 . . . . 0.0 110.962 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.436 ' HB3' HD11 ' A' ' 38' ' ' LEU . 93.6 m-85 -47.09 -54.83 9.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -39.79 -30.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 39' ' ' ARG . 2.6 mmt180 -93.19 -67.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.958 HD13 HD23 ' A' ' 44' ' ' LEU . 3.1 mt -43.63 -32.62 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD23 ' CE2' ' A' ' 55' ' ' PHE . 70.7 mt -66.97 -47.62 71.04 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 36' ' ' ARG . 62.5 ttt180 -51.97 -41.26 61.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.336 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -122.85 104.11 36.39 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -29.15 8.57 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.444 1.76 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.43 -30.74 75.48 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.467 1.104 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.1 tp -61.25 -42.22 98.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 0.727 . . . . 0.0 109.346 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.958 HD23 HD13 ' A' ' 37' ' ' LEU . 5.2 tp -156.16 111.88 3.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.579 1.174 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.51 129.23 47.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.609 1.193 . . . . 0.0 109.277 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG21 ' CD1' ' A' ' 55' ' ' PHE . 20.2 t -90.93 123.29 43.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -121.7 166.75 13.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.537 1.148 . . . . 0.0 110.23 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.02 75.87 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.441 1.088 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.7 mt -75.63 165.73 51.01 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.586 0.815 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG3' ' CG1' ' A' ' 69' ' ' ILE . 18.1 Cg_endo -75.02 102.24 1.57 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.783 . . . . 0.0 110.977 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' C ' ' O ' ' A' ' 50' ' ' PRO . 13.2 pt-20 -32.1 146.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 110.245 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.13 45.75 38.89 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 0.0 111.01 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD22 ' CE1' ' A' ' 61' ' ' TYR . 7.9 mt -157.01 -169.09 2.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.435 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.7 139.45 16.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CD1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.16 112.08 1.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 110.972 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.435 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -164.08 164.65 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.518 1.137 . . . . 0.0 110.235 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -40.79 148.4 0.37 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.282 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.452 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.2 Cg_endo -75.04 -20.21 17.01 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.26 -11.32 50.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -98.79 -11.41 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 110.31 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -76.29 172.84 12.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 0.0 111.035 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.876 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -86.77 -178.93 1.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.068 . . . . 0.0 109.292 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.547 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.92 -54.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.541 1.811 . . . . 0.0 111.016 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -23.7 67.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.362 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.876 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -63.77 -61.48 2.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.413 1.071 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.137 HD22 HG11 ' A' ' 12' ' ' VAL . 79.0 mt -45.36 -47.05 13.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 1.101 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.501 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 27.1 mtm -64.15 -29.72 70.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 0.0 110.96 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.581 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.78 -18.02 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.366 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 66' ' ' LEU . 12.4 mt -84.3 -43.52 17.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.1 mt -67.03 -22.11 65.9 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 109.342 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -91.38 -43.49 9.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.581 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 10.1 m170 -80.55 -11.35 59.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.62 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.499 ' HA ' HD12 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -43.34 -48.03 6.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.957 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.443 ' CD2' ' HG2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -42.34 -27.96 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.113 . . . . 0.0 109.567 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 0.1 OUTLIER -95.75 -40.47 9.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.286 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.679 HD11 HG23 ' A' ' 69' ' ' ILE . 58.7 mt -40.72 122.35 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.281 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mmt180 -142.06 127.59 18.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 110.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 8.0 m-85 -84.81 153.92 22.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.561 1.163 . . . . 0.0 111.046 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.406 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.6 mmmt -137.46 116.68 12.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 80' ' ' LEU . 13.1 mt -91.44 143.32 26.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.84 141.82 5.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? 58.83 167.98 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -58.68 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.566 1.824 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.1 165.87 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.9 m -136.37 146.53 46.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.557 1.161 . . . . 0.0 110.063 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.62 123.34 0.66 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.495 1.122 . . . . 0.0 111.04 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 161.61 38.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.483 1.781 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 140.11 39.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.986 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 26.0 m 41.44 82.19 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 110.041 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.516 1.135 . . . . 0.0 111.066 179.952 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 m 73.15 -67.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.99 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -149.39 154.64 39.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 109.989 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.46 -166.79 12.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.6 p -177.64 132.54 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 0.753 . . . . 0.0 110.004 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 m 60.25 166.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.17 . . . . 0.0 109.981 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 82.81 110.74 0.48 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.12 . . . . 0.0 111.047 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt -52.31 -54.5 30.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 0.736 . . . . 0.0 109.217 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.507 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 5.3 ttm105 -65.77 -36.16 82.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -27.78 66.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.512 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.6 OUTLIER -70.31 -51.27 31.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.97 HG11 HD22 ' A' ' 66' ' ' LEU . 1.3 p -73.44 -26.25 22.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.423 1.077 . . . . 0.0 109.29 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 1.7 mm-40 -48.69 -42.32 34.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.587 1.18 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -80.52 -40.26 26.36 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.563 1.164 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 11' ' ' MET . 54.9 t -42.48 -71.26 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.626 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.2 m-85 -47.72 -39.16 16.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 31' ' ' PRO . 1.9 m-20 -62.24 -52.0 65.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 3.0 t -60.57 -62.33 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.587 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 16.9 mt -40.22 -54.36 2.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.512 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 18.3 t80 -49.67 -51.57 37.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 111.012 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.576 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.6 OUTLIER -59.26 -49.37 78.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.987 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -45.39 -52.37 10.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.89 -33.73 76.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.5 mt -73.07 -18.18 61.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 21' ' ' SER . . . 61.71 40.68 99.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.447 1.092 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.98 178.58 5.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 110.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -97.73 -47.03 5.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 m -90.53 165.15 13.94 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 50.9 t -92.24 104.11 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG22 ' OG ' ' A' ' 21' ' ' SER . 4.8 m -85.9 156.48 58.05 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.46 ' HA ' ' OD1' ' A' ' 17' ' ' ASP . 18.4 Cg_endo -74.95 170.77 19.68 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.532 1.806 . . . . 0.0 111.025 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.837 ' CD1' HD12 ' A' ' 37' ' ' LEU . 2.8 tp -117.47 101.68 52.46 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.446 1.091 . . . . 0.0 109.269 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 80.6 2.37 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.519 1.799 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.553 ' HB3' HD11 ' A' ' 38' ' ' LEU . 60.0 m-85 -54.92 -54.61 40.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.0 pt-20 -38.81 -32.22 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -90.77 -67.98 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.266 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.929 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.73 -40.04 2.65 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.097 . . . . 0.0 109.381 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 34' ' ' TYR . 52.2 mt -58.5 -46.89 85.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.217 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' ARG . 44.1 ttt85 -50.45 -43.61 55.2 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 110.257 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.941 ' OE2' HD22 ' A' ' 43' ' ' LEU . 2.5 pt-20 -122.28 104.58 37.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.565 1.166 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 -21.56 15.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.532 1.807 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -75.74 -28.63 60.73 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.941 HD22 ' OE2' ' A' ' 40' ' ' GLU . 14.4 tp -62.94 -42.23 99.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.929 HD23 HD13 ' A' ' 37' ' ' LEU . 4.2 tp -150.74 110.85 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.102 . . . . 0.0 109.238 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.28 133.21 46.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.69 HG21 ' CD1' ' A' ' 55' ' ' PHE . 57.9 t -94.2 129.64 44.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 16.0 mm-40 -125.49 165.78 17.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.27 31.73 68.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 mt -65.79 166.34 15.83 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.581 0.813 . . . . 0.0 109.326 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.966 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.2 Cg_endo -75.03 7.4 2.89 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.556 1.819 . . . . 0.0 110.995 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.34 145.24 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.271 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 69.06 29.77 72.23 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.966 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -138.96 -170.46 2.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 109.299 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -146.76 134.2 20.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.143 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.69 ' CD1' HG21 ' A' ' 46' ' ' VAL . 9.8 t80 -59.4 108.9 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.1 OUTLIER -163.73 167.77 20.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 110.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.4 mtt180 -37.55 151.08 0.15 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.365 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.795 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.4 Cg_endo -74.98 -18.64 18.62 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.527 1.804 . . . . 0.0 111.023 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.96 -28.89 22.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.375 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -75.97 -10.02 59.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.148 . . . . 0.0 110.329 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.05 170.08 15.96 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.454 1.096 . . . . 0.0 111.05 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.761 ' OD2' ' HB2' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -85.24 -179.82 1.6 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.539 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -75.01 -50.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.434 1.755 . . . . 0.0 111.069 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -23.13 65.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.761 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -65.87 -63.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.97 HD22 HG11 ' A' ' 12' ' ' VAL . 47.6 mt -43.28 -43.51 4.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.519 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 17.3 mtm -65.61 -39.08 91.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.15 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.476 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -73.29 -22.76 60.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.355 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.706 HD12 ' HA ' ' A' ' 66' ' ' LEU . 21.5 mt -77.65 -62.33 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.594 1.183 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 HD22 ' HB3' ' A' ' 11' ' ' MET . 3.6 mt -47.24 -22.86 0.45 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.552 1.157 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 69' ' ' ILE . 16.9 mt-10 -87.27 -60.23 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.531 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 9.4 m-70 -68.71 -10.56 57.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 109.592 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.619 ' N ' ' O ' ' A' ' 69' ' ' ILE . 36.5 m -56.84 -19.91 20.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.971 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.7 OUTLIER -63.18 -19.34 64.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.433 1.083 . . . . 0.0 109.625 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 5.5 mtt180 -110.15 -30.91 7.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.157 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 55.3 mt -40.3 125.18 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.329 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -140.26 131.1 25.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 110.239 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.587 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 3.7 m-85 -84.83 151.92 23.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 110.959 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -134.72 117.06 15.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.458 1.099 . . . . 0.0 109.247 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' A' ' 80' ' ' LEU . 14.9 mt -92.52 144.23 25.56 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.257 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.6 tttm -51.51 -51.89 51.41 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.393 1.058 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.59 153.19 44.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.22 31.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.513 1.796 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.14 140.14 0.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 14.0 m -131.27 153.71 49.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.412 ' HA3' ' CA ' ' A' ' 25' ' ' GLY . . . -140.76 169.21 24.98 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.112 . . . . 0.0 111.007 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 134.38 17.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.492 1.785 . . . . 0.0 110.977 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.7 m -84.8 142.66 29.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.016 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.8 t -157.1 150.89 24.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.585 1.178 . . . . 0.0 110.924 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -145.32 103.52 3.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 0.784 . . . . 0.0 110.023 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.94 -67.42 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.954 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.69 67.64 0.01 OUTLIER Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.528 1.143 . . . . 0.0 110.945 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 55.59 102.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 0.752 . . . . 0.0 110.007 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -175.22 93.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 110.044 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.473 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 110.94 128.43 5.34 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.415 1.072 . . . . 0.0 111.016 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.55 ' O ' HG12 ' A' ' 12' ' ' VAL . 10.0 mt -55.21 -56.94 14.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 0.742 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' N ' HD13 ' A' ' 66' ' ' LEU . 6.9 ttm180 -64.26 -32.32 73.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.326 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? -72.84 -28.92 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.654 ' HB3' HD22 ' A' ' 70' ' ' LEU . 0.5 OUTLIER -69.23 -53.94 17.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.05 HG11 HD22 ' A' ' 66' ' ' LEU . 1.4 p -65.98 -37.27 79.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 0.0 109.346 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.493 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 2.8 mm-40 -38.27 -44.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.261 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.5 pt-20 -79.08 -39.79 32.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' VAL . 44.6 t -46.51 -26.06 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.623 ' HB3' HD23 ' A' ' 32' ' ' LEU . 9.8 m-85 -96.81 -24.67 15.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.95 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.7 OUTLIER -87.94 -11.18 48.3 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.136 . . . . 0.0 109.277 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.718 HG23 ' OD1' ' A' ' 17' ' ' ASP . 27.5 t -94.4 -74.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.55 ' CD1' HG22 ' A' ' 76' ' ' ILE . 36.4 mt -38.71 -41.2 0.68 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 109.365 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.457 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 15.5 t80 -59.56 -62.62 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.5 t -51.69 -36.7 47.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -63.16 -52.97 60.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -29.89 71.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.177 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 80' ' ' LEU . 2.6 mt -75.38 -21.07 58.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 66.69 43.25 92.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' NH1' ' HA ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -96.79 174.47 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 0.778 . . . . 0.0 110.311 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.36 -49.76 6.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 m -96.13 174.72 6.76 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 109.949 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.566 HG11 ' OD2' ' A' ' 17' ' ' ASP . 17.7 t -94.86 122.4 46.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -105.4 156.66 35.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 167.37 27.13 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.453 1.765 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.823 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.2 tp -110.24 101.91 49.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 76.52 3.37 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.455 1.766 . . . . 0.0 111.07 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.556 ' CD2' ' HG3' ' A' ' 57' ' ' ARG . 76.6 m-85 -50.27 -52.26 37.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.028 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -42.09 -30.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.349 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 3.6 mtt-85 -93.17 -67.84 0.83 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.925 ' CD1' HD23 ' A' ' 44' ' ' LEU . 3.0 mt -43.27 -36.0 1.66 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.447 1.092 . . . . 0.0 109.328 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 34' ' ' TYR . 68.3 mt -63.98 -46.97 82.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.35 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 53.5 ttt85 -53.18 -46.13 68.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 110.354 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -118.95 105.48 45.08 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -26.34 11.08 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.01 72.59 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.498 1.124 . . . . 0.0 111.03 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.92 -42.19 99.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 0.768 . . . . 0.0 109.273 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.925 HD23 ' CD1' ' A' ' 37' ' ' LEU . 4.6 tp -158.32 111.46 2.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.426 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.83 132.12 47.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 109.366 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 45.6 t -96.05 113.45 30.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 17.7 mm100 -113.16 163.98 14.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.86 32.45 73.78 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.429 ' HG ' HG12 ' A' ' 46' ' ' VAL . 4.5 mt -76.01 165.76 50.57 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.91 102.92 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.534 1.808 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' C ' ' O ' ' A' ' 50' ' ' PRO . 0.0 OUTLIER -32.95 146.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.404 ' O ' ' HG ' ' A' ' 53' ' ' LEU . . . 72.72 41.24 50.88 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.749 HD22 ' CE1' ' A' ' 61' ' ' TYR . 12.3 mt -154.34 -170.05 3.42 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 0.754 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.436 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -155.54 136.58 13.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.325 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.6 t80 -57.98 109.62 0.77 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.9 OUTLIER -163.96 164.98 23.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -38.74 147.4 0.28 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.273 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.51 ' HD3' ' CZ ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.97 -19.3 18.06 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.427 ' HB2' ' HD3' ' A' ' 9' ' ' ARG . . . -85.05 -10.36 57.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.85 -12.17 21.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.749 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -77.77 169.14 18.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.02 -178.08 1.1 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.574 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.3 Cg_endo -74.99 -57.02 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.496 1.788 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.97 -27.09 69.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -58.72 -62.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.05 HD22 HG11 ' A' ' 12' ' ' VAL . 53.3 mt -43.95 -50.85 8.03 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.492 ' HG3' ' CD1' ' A' ' 8' ' ' LEU . 16.4 mtm -56.16 -35.96 67.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 111.062 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 72' ' ' HIS . . . -76.88 -30.09 56.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 66' ' ' LEU . 23.3 mt -71.05 -45.19 73.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.654 HD22 ' HB3' ' A' ' 11' ' ' MET . 1.4 mt -68.42 -22.47 64.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.357 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -92.12 -37.05 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.128 . . . . 0.0 110.311 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.47 ' N ' ' O ' ' A' ' 68' ' ' ALA . 16.8 m-70 -84.63 -11.1 56.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.65 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.6 OUTLIER -44.72 -32.1 1.4 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 110.008 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -53.19 -21.42 5.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.517 1.136 . . . . 0.0 109.584 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.582 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 8.5 mtp180 -103.7 -39.75 6.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.226 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.717 HD11 HG23 ' A' ' 69' ' ' ILE . 36.4 mt -39.29 124.82 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -144.47 128.54 17.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.263 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.497 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.1 m-85 -88.15 144.32 26.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 111.008 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.8 mmmt -131.74 116.67 17.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.335 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.442 HD23 ' HA ' ' A' ' 80' ' ' LEU . 21.0 mt -91.07 146.64 23.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.436 1.085 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 16.0 pttt -47.45 142.62 4.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.427 ' CG ' ' HD2' ' A' ' 83' ' ' PRO . 0.0 OUTLIER 62.53 164.09 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 82' ' ' ARG . 18.2 Cg_endo -75.03 121.39 6.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.596 1.84 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -178.63 134.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -151.8 165.81 33.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -129.89 -96.37 0.78 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -178.77 4.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.446 1.761 . . . . 0.0 111.016 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.9 t 60.59 155.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.423 1.077 . . . . 0.0 109.959 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.23 98.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.427 1.079 . . . . 0.0 111.034 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -90.27 111.47 22.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.772 . . . . 0.0 109.97 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.47 131.17 41.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.3 129.03 1.01 Allowed Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.476 1.11 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.3 m -106.66 127.57 53.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 0.759 . . . . 0.0 109.97 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.9 108.59 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.0 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.09 174.9 20.76 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.736 ' O ' HG12 ' A' ' 12' ' ' VAL . 7.4 mt -92.15 -55.65 3.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 0.798 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.827 ' NE ' ' HB2' ' A' ' 59' ' ' ALA . 2.7 ttt180 -64.74 -29.52 70.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.326 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.53 ' O ' ' CE ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -71.67 -38.31 70.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.095 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.511 ' HB3' HD21 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -62.93 -57.46 10.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.999 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.037 HG11 HD22 ' A' ' 66' ' ' LEU . 0.8 OUTLIER -60.27 -40.88 85.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.513 ' OE2' ' CZ ' ' A' ' 9' ' ' ARG . 5.2 mm-40 -37.22 -46.25 0.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 110.243 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' VAL . 3.7 pt-20 -76.24 -40.32 52.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.261 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' VAL . 37.4 t -47.48 -27.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.342 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.532 ' HB3' HD23 ' A' ' 32' ' ' LEU . 7.3 m-85 -96.2 -22.37 17.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.559 1.162 . . . . 0.0 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.697 ' OD1' HG23 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -89.99 -11.06 42.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG23 ' OD1' ' A' ' 17' ' ' ASP . 25.1 t -93.92 -74.59 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.569 ' HB2' ' CE1' ' A' ' 78' ' ' PHE . 36.6 mt -38.75 -40.28 0.6 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 78' ' ' PHE . 20.0 t80 -57.05 -64.99 0.7 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 110.92 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.406 ' OG ' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -52.45 -41.06 62.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -55.6 -44.53 77.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.405 1.065 . . . . 0.0 110.261 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.99 -30.35 58.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.44 1.087 . . . . 0.0 109.315 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 2.3 mt -71.84 -20.06 61.88 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.232 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 67.0 41.8 92.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.577 1.173 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? -98.64 174.56 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 110.333 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -91.96 -48.49 6.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.358 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.1 m -96.53 169.84 9.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.952 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 17' ' ' ASP . 27.3 t -90.47 122.01 41.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.44 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 HG22 ' OG ' ' A' ' 21' ' ' SER . 0.5 OUTLIER -104.45 157.19 34.62 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 165.47 31.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.454 1.766 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.858 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.4 tp -110.07 101.72 48.44 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 82.39 2.01 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.516 1.798 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' HB3' HD11 ' A' ' 38' ' ' LEU . 44.5 m-85 -55.05 -55.15 34.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 34' ' ' TYR . 17.2 pt-20 -39.03 -29.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.8 OUTLIER -95.15 -67.7 0.84 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.858 HD12 ' CD1' ' A' ' 32' ' ' LEU . 2.6 mt -43.64 -34.96 1.59 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 34' ' ' TYR . 72.5 mt -63.12 -46.77 85.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' ARG . 48.8 ttt85 -52.02 -47.27 65.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.335 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.421 ' CD ' HD22 ' A' ' 43' ' ' LEU . 1.8 pt-20 -114.63 102.88 55.05 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -23.05 14.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.544 1.813 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.66 -33.96 54.66 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' CD ' ' A' ' 40' ' ' GLU . 12.0 tp -56.93 -42.35 79.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 0.76 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.777 HD23 ' CD1' ' A' ' 37' ' ' LEU . 3.7 tp -153.52 110.33 3.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 44' ' ' LEU . . . -101.34 128.05 47.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.329 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.505 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.6 t -93.06 119.96 41.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -117.6 165.8 13.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.384 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.07 31.01 74.28 Favored Glycine 0 CA--C 1.529 0.913 0 O-C-N 124.521 1.138 . . . . 0.0 111.021 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.22 165.94 48.97 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.487 0.757 . . . . 0.0 109.215 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.619 ' HG2' HD12 ' A' ' 53' ' ' LEU . 18.4 Cg_endo -74.98 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.057 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' PRO . 4.5 pt-20 -32.66 146.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.98 45.87 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.578 1.174 . . . . 0.0 111.033 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.619 HD12 ' HG2' ' A' ' 50' ' ' PRO . 13.7 mt -155.82 -171.04 3.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 109.346 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' CG ' ' A' ' 56' ' ' ARG . . . -154.01 140.9 19.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.226 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.505 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.6 t80 -59.59 110.15 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.138 . . . . 0.0 111.011 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.423 ' CG ' ' O ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -163.62 167.2 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.289 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.534 ' HG3' ' CD2' ' A' ' 34' ' ' TYR . 8.3 mtt85 -38.14 150.41 0.19 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.685 ' O ' HD21 ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.06 -17.84 19.09 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.827 ' HB2' ' NE ' ' A' ' 9' ' ' ARG . . . -86.63 -30.54 21.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.577 1.173 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -73.12 -18.81 61.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.291 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.483 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.5 OUTLIER -72.84 167.11 21.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.406 1.066 . . . . 0.0 110.989 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.577 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -84.89 -177.88 1.05 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.577 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.4 Cg_endo -75.03 -51.01 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.64 -24.7 65.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.563 ' HB2' ' OD2' ' A' ' 62' ' ' ASP . . . -64.07 -61.14 2.45 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.486 1.116 . . . . 0.0 109.365 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.037 HD22 HG11 ' A' ' 12' ' ' VAL . 78.4 mt -43.48 -44.57 6.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.349 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.509 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 20.0 mtm -65.03 -35.76 82.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.979 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 65' ' ' ALA . . . -73.84 -19.45 60.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.944 HD12 ' HA ' ' A' ' 66' ' ' LEU . 14.3 mt -81.2 -39.52 17.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.511 HD21 ' HB3' ' A' ' 11' ' ' MET . 5.8 mt -69.04 -27.68 65.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.32 -40.8 14.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.496 ' ND1' ' HA ' ' A' ' 50' ' ' PRO . 13.8 m-70 -83.35 -11.11 58.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.602 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.2 OUTLIER -46.29 -43.25 15.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.02 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.536 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -49.11 -23.0 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.613 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.536 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 15.0 mtp180 -97.68 -39.14 9.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.331 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.76 HD11 HG23 ' A' ' 69' ' ' ILE . 57.6 mt -41.26 126.2 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.1 mtt-85 -143.12 125.21 15.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.566 1.166 . . . . 0.0 110.261 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 6.3 m-85 -85.25 140.66 30.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.96 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -129.84 116.26 18.43 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.515 1.134 . . . . 0.0 109.308 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 80' ' ' LEU . 18.0 mt -90.53 158.12 17.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 82' ' ' ARG . 0.2 OUTLIER -80.38 -89.23 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 81' ' ' LYS . 0.0 OUTLIER -43.67 167.35 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.291 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.517 1.798 . . . . 0.0 111.013 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.0 p -178.33 112.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 86.4 p -148.38 160.41 43.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.003 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.82 -154.85 6.46 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.047 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 179.41 6.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.531 1.806 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -166.42 148.55 6.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 12.8 m -131.96 93.32 3.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.929 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.453 1.096 . . . . 0.0 111.01 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.54 132.58 0.76 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 0.76 . . . . 0.0 110.009 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 t -177.92 142.03 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.547 1.155 . . . . 0.0 109.992 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.29 -116.41 2.8 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 m 67.07 121.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 0.756 . . . . 0.0 110.023 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p -148.1 128.56 14.0 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.034 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' MET . . . 123.52 134.28 4.3 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.458 ' O ' HG12 ' A' ' 12' ' ' VAL . 8.4 mt -47.74 -55.4 9.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.5 ttp180 -68.38 -35.47 77.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -66.92 -22.44 65.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' O ' HG23 ' A' ' 15' ' ' VAL . 1.3 mtm -78.79 -49.46 12.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.053 HG11 HD22 ' A' ' 66' ' ' LEU . 2.0 p -73.1 -21.31 19.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.15 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.526 ' CG ' ' O ' ' A' ' 9' ' ' ARG . 3.4 mm-40 -57.11 -40.07 76.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' ASP . 4.9 pt-20 -84.17 -38.42 20.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.208 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' MET . 43.9 t -47.72 -32.41 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.533 ' HB3' HD23 ' A' ' 32' ' ' LEU . 8.8 m-85 -87.45 -22.08 25.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.979 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.674 ' OD1' HG23 ' A' ' 18' ' ' VAL . 5.1 p30 -89.82 -11.04 43.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.174 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.674 HG23 ' OD1' ' A' ' 17' ' ' ASP . 24.9 t -94.02 -73.64 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.437 1.085 . . . . 0.0 109.378 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 ' CD1' HG22 ' A' ' 76' ' ' ILE . 40.5 mt -39.62 -36.81 0.44 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.441 ' HB2' ' CE2' ' A' ' 78' ' ' PHE . 14.6 t80 -65.03 -64.84 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 110.99 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.4 t -50.73 -30.45 13.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.008 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.19 -52.3 35.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.465 1.103 . . . . 0.0 110.263 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.31 -30.38 71.43 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 24' ' ' LEU . 4.2 mt -75.87 -24.87 55.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.56 49.2 45.71 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.51 175.51 5.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 0.747 . . . . 0.0 110.269 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.02 -51.53 5.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.9 m -94.82 174.18 7.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.026 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.8 t -94.48 124.21 46.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -107.37 156.55 37.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.577 1.173 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.93 30.34 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.552 1.817 . . . . 0.0 111.082 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.824 ' CD1' HD12 ' A' ' 37' ' ' LEU . 3.0 tp -109.68 100.93 44.6 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 79.72 2.62 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 57' ' ' ARG . 91.2 m-85 -53.78 -52.69 59.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.432 1.082 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -40.26 -31.5 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -92.13 -67.91 0.83 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.577 1.173 . . . . 0.0 110.365 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.861 HD13 HD23 ' A' ' 44' ' ' LEU . 3.4 mt -42.8 -37.7 1.88 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 109.358 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 34' ' ' TYR . 62.8 mt -61.5 -47.33 86.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER -55.09 -45.95 75.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.913 ' OE2' HD22 ' A' ' 43' ' ' LEU . 1.6 pt-20 -117.08 104.8 50.17 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -27.34 10.16 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.517 1.798 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -68.81 -30.44 72.56 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.913 HD22 ' OE2' ' A' ' 40' ' ' GLU . 9.8 tp -61.63 -42.23 98.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 0.746 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.861 HD23 HD13 ' A' ' 37' ' ' LEU . 5.4 tp -163.52 110.39 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.271 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.31 137.36 37.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG21 ' CE1' ' A' ' 55' ' ' PHE . 48.1 t -98.73 116.76 42.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.1 mm-40 -117.01 165.46 13.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.84 30.45 72.51 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 ' HG ' HG12 ' A' ' 46' ' ' VAL . 5.6 mt -76.09 165.59 51.81 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.559 0.8 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.484 ' O ' ' C ' ' A' ' 51' ' ' GLU . 18.2 Cg_endo -75.02 101.51 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 50' ' ' PRO . 10.3 pt-20 -31.92 146.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 110.333 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 72.91 42.56 44.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.474 1.109 . . . . 0.0 110.989 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 ' CE1' ' A' ' 61' ' ' TYR . 10.7 mt -155.08 -169.98 3.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.413 0.714 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB3' ' NH1' ' A' ' 56' ' ' ARG . . . -154.92 136.63 14.39 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.111 . . . . 0.0 109.387 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.481 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -58.85 110.96 1.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.443 1.089 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 54' ' ' ALA . 0.6 OUTLIER -164.28 174.02 11.62 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.357 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.565 ' HD3' ' CE2' ' A' ' 34' ' ' TYR . 7.9 mmt85 -48.71 145.64 5.9 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.276 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.491 ' HD2' ' CD ' ' A' ' 57' ' ' ARG . 18.3 Cg_endo -74.99 -16.74 20.06 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.469 1.773 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.24 -18.03 40.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -92.57 -20.49 20.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.32 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.772 ' CE1' HD22 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -67.61 166.18 15.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' CB ' ' CD ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -83.27 -178.3 1.16 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' CD ' ' CB ' ' A' ' 62' ' ' ASP . 18.5 Cg_endo -74.93 -52.79 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -23.45 66.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.102 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 68' ' ' ALA . . . -63.82 -61.17 2.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 109.268 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.053 HD22 HG11 ' A' ' 12' ' ' VAL . 49.7 mt -45.41 -46.88 13.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.168 . . . . 0.0 109.353 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.527 ' HE2' ' O ' ' A' ' 63' ' ' PRO . 29.2 mtm -64.4 -29.18 70.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.564 ' O ' ' CD2' ' A' ' 72' ' ' HIS . . . -81.37 -22.0 38.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.844 HG23 HD11 ' A' ' 76' ' ' ILE . 10.5 mt -82.15 -40.26 17.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' MET . 5.9 mt -67.35 -21.68 65.62 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.09 -38.73 11.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.287 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . 0.564 ' CD2' ' O ' ' A' ' 68' ' ' ALA . 12.0 m-70 -84.37 -10.62 57.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.142 . . . . 0.0 109.505 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ILE . 0.9 OUTLIER -46.7 -40.22 12.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.042 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.561 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -51.11 -22.2 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.56 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.561 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 10.9 mtp180 -100.33 -38.61 8.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.844 HD11 HG23 ' A' ' 69' ' ' ILE . 50.1 mt -40.82 118.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.8 mtt-85 -135.39 126.5 27.97 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.517 1.136 . . . . 0.0 110.262 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.578 ' CE1' ' HB2' ' A' ' 19' ' ' LEU . 5.7 m-85 -85.94 143.74 28.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.956 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.546 ' O ' HD12 ' A' ' 44' ' ' LEU . 6.5 mmmt -129.57 117.22 20.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.399 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt -90.89 156.36 18.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.256 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.11 -21.01 4.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.61 145.0 30.4 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.133 . . . . 0.0 110.258 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -31.56 6.21 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 4.9 m -63.27 120.63 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 46.5 p -170.53 141.87 1.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.155 . . . . 0.0 109.996 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 86.4 76.96 1.24 Allowed Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.427 1.08 . . . . 0.0 111.029 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -47.43 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.806 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 35.1 t -48.9 149.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.982 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 47.38 89.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.961 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.938 . . . . . . . . 0 0 . 1 stop_ save_