data_1y7q_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 1y7q _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 ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.624 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.51 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.499 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.597 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.523 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.802 HD13 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 64' ' ' LEU . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 49' ' ' PHE . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.498 HD12 ' CG2' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.524 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.493 ' CE ' ' HG3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CD1' HG12 ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.645 HD22 ' CE3' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.626 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.611 ' HG2' ' CZ ' ' B' ' 49' ' ' PHE . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CZ ' ' CD1' ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 98' ' ' LEU . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.613 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG2' ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 3.3 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 103' ' ' GLN . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.478 ' CD2' ' C ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.43 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.445 ' CB ' ' HE2' ' A' ' 91' ' ' MET . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 119' ' ' THR . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' B' ' 54' ' ' TYR . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.613 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.438 ' C ' HG21 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.711 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.588 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.555 HD23 ' CE2' ' B' ' 49' ' ' PHE . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 67' ' ' LEU . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.637 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 7.8 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.645 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.517 ' CD2' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.493 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.461 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.534 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.509 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 91' ' ' MET . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.624 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.802 ' CD1' HD13 ' A' ' 64' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.694 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.575 HG23 ' CD2' ' A' ' 52' ' ' PHE . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.631 ' CD1' ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.497 ' HA ' ' CD2' ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.457 ' CB ' HD22 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.48 ' CG2' ' H ' ' B' ' 107' ' ' ARG . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 3.9 t-160 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.439 ' CD2' ' HB2' ' B' ' 103' ' ' GLN . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.625 ' CG2' ' CE2' ' B' ' 94' ' ' PHE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.541 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.623 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.2 m170 -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 20.3 ttt180 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.619 ' C ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.421 ' C ' HG23 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.523 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.606 ' N ' HD21 ' A' ' 64' ' ' LEU . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 52' ' ' PHE . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.504 ' CD ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' B' ' 85' ' ' ILE . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 90' ' ' VAL . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.558 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 12.6 tp60 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.741 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' NE2' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.464 ' HE2' ' CB ' ' A' ' 116' ' ' GLU . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.464 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 117' ' ' ILE . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.565 ' C ' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.1 m170 -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.614 HE21 HH21 ' B' ' 50' ' ' ARG . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.614 HH21 HE21 ' B' ' 47' ' ' GLN . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.521 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.475 ' CG1' ' OE1' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.445 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.495 ' OE2' ' CB ' ' B' ' 65' ' ' SER . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' B' ' 49' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.488 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.574 ' SG ' ' CE2' ' B' ' 49' ' ' PHE . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.657 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 89' ' ' LEU . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.49 ' N ' ' OG1' ' B' ' 81' ' ' THR . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.419 ' OE2' HG21 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.575 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.591 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.605 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 50' ' ' ARG . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.732 ' CD1' HD12 ' A' ' 64' ' ' LEU . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.635 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.471 ' CG2' ' OE1' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 98' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.41 HD12 ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.438 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.438 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' B' ' 111' ' ' LEU . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' B' ' 119' ' ' THR . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.474 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 20.9 m170 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 122' ' ' GLU . 3.2 mtm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' SER . 1.3 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.65 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.479 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.647 HD12 ' CE1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.587 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.63 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' HD13 ' A' ' 88' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.578 ' CD2' ' CD ' ' A' ' 84' ' ' GLN . 13.2 m170 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.468 ' N ' ' C ' ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.578 ' CD ' ' CD2' ' A' ' 80' ' ' HIS . 6.9 mm-40 -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' HD13 ' A' ' 89' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.558 HD13 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.581 HD23 ' CE3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.543 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.551 ' HA ' HD21 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' A' ' 96' ' ' THR . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.753 ' CD1' HD12 ' B' ' 64' ' ' LEU . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.597 HG23 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.621 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.5 ' C ' ' CG ' ' A' ' 112' ' ' MET . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.69 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.691 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.691 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 16.6 m170 -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.458 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.597 ' CD1' HG23 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' B' ' 52' ' ' PHE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.528 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.44 ' N ' HG21 ' B' ' 57' ' ' VAL . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.753 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' HD23 ' B' ' 64' ' ' LEU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' B' ' 49' ' ' PHE . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.569 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.641 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.474 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' B' ' 71' ' ' CYS . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.523 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.599 ' O ' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.2 m170 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.439 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 84' ' ' GLN . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' B' ' 88' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 72' ' ' ARG . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.63 ' CD1' ' HB3' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.564 ' CG2' ' CB ' ' A' ' 71' ' ' CYS . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.57 ' O ' HD11 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.439 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.65 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.65 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.618 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.46 HG23 ' HA ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 52' ' ' PHE . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.473 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.479 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.494 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.639 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.7 m170 -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.446 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' HG23 ' A' ' 57' ' ' VAL . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.623 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.615 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.617 ' CE3' HD21 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.547 ' CD1' HD22 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' N ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.469 ' C ' ' N ' ' A' ' 83' ' ' GLU . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.545 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' B' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.658 HD21 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.598 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.606 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.635 ' OE1' ' CZ ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.744 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 98' ' ' LEU . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 107' ' ' ARG . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 111' ' ' LEU . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.491 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.701 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.701 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 20.7 m170 -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.551 ' CD1' HD22 ' A' ' 98' ' ' LEU . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' B' ' 62' ' ' GLU . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.428 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.51 ' CB ' HG23 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.744 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 97' ' ' ILE . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.598 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' B' ' 70' ' ' LEU . 2.6 pt20 -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' B' ' 69' ' ' GLN . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.658 ' CZ3' HD21 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 76' ' ' GLN . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.491 ' O ' HD12 ' B' ' 89' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 90' ' ' VAL . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.41 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.617 HD21 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.544 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.623 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.518 HG22 ' N ' ' B' ' 97' ' ' ILE . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.518 ' N ' HG22 ' B' ' 96' ' ' THR . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.402 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.497 ' HA ' ' CG1' ' B' ' 106' ' ' VAL . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HA ' ' B' ' 103' ' ' GLN . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.4 ' N ' ' CG1' ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 116' ' ' GLU . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.454 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.447 HG12 ' CD1' ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.7 m170 -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' HD12 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.427 ' CB ' HD13 ' B' ' 97' ' ' ILE . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' A' ' 49' ' ' PHE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.554 ' CB ' ' CG2' ' B' ' 90' ' ' VAL . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.425 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.636 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 85' ' ' ILE . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 83' ' ' GLU . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' OE1' ' ND1' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.51 HG12 ' CG2' ' B' ' 85' ' ' ILE . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CD1' ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' B' ' 68' ' ' ARG . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.583 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.504 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.714 ' HG2' ' CD1' ' B' ' 49' ' ' PHE . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' B' ' 64' ' ' LEU . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.7 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 97' ' ' ILE . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.602 ' N ' HG13 ' A' ' 97' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.416 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.518 ' N ' HD11 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.414 ' HE1' ' N ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.514 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 119' ' ' THR . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.458 HG22 ' CA ' ' B' ' 60' ' ' PRO . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.71 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.647 ' HA ' ' HE2' ' A' ' 125' ' ' HIS . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.714 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.451 ' OH ' ' CE1' ' A' ' 125' ' ' HIS . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.458 ' CA ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 94' ' ' PHE . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.63 HD21 ' CD1' ' B' ' 49' ' ' PHE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.543 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.432 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.72 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.61 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 1.7 m170 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.477 ' CG ' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.636 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.585 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.428 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.666 ' CD1' ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' B' ' 99' ' ' PRO . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' B' ' 98' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.54 ' O ' ' CD ' ' B' ' 107' ' ' ARG . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.406 ' HE2' ' N ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' B' ' 113' ' ' SER . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.721 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' B' ' 125' ' ' HIS . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.614 ' CE1' HG11 ' B' ' 121' ' ' VAL . 23.0 m170 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.471 ' OH ' ' CG1' ' B' ' 121' ' ' VAL . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 65' ' ' SER . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HB2' ' NH2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.65 ' SG ' ' CE1' ' A' ' 49' ' ' PHE . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.624 ' CZ2' HD12 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CE1' ' HG3' ' A' ' 84' ' ' GLN . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.67 HD21 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.533 ' O ' HD13 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' MET . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.584 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' B' ' 64' ' ' LEU . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.66 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 98' ' ' LEU . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.61 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.527 ' CA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.481 ' N ' HG12 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.605 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.512 ' CG2' HD23 ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.502 ' CG ' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' HG2' ' SD ' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 113' ' ' SER . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.527 HD21 ' CA ' ' A' ' 102' ' ' ILE . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.447 HG12 ' NE2' ' A' ' 125' ' ' HIS . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.505 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.449 ' NE2' ' HH ' ' B' ' 54' ' ' TYR . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.607 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.505 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.523 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 57' ' ' VAL . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 70' ' ' LEU . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.536 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 67' ' ' LEU . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.67 ' CE3' HD21 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.52 ' CD2' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.419 ' CD2' HD11 ' B' ' 79' ' ' LEU . 13.4 m170 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.508 ' CG ' ' HB3' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.49 ' O ' HD11 ' B' ' 89' ' ' LEU . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.615 ' O ' ' CG2' ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.638 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 64' ' ' LEU . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.674 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.422 HG21 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.446 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.524 ' CB ' ' CD ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 100' ' ' GLU . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 5.5 t-160 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.484 ' N ' ' CD2' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' B' ' 119' ' ' THR . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.43 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.609 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.8 m170 -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE2' ' HE1' ' B' ' 125' ' ' HIS . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.746 HD11 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.627 ' CE3' HD23 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.48 ' CG ' ' HG3' ' B' ' 77' ' ' PRO . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.542 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.589 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 86' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.576 ' O ' HD11 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.443 ' HA ' HD21 ' A' ' 95' ' ' LEU . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CE2' ' CG2' ' A' ' 117' ' ' ILE . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 97' ' ' ILE . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.523 HG13 ' N ' ' A' ' 98' ' ' LEU . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.416 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.664 ' O ' HD13 ' A' ' 120' ' ' LEU . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.589 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.2 m170 -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.488 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.583 ' CD2' HG13 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.459 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' B' ' 54' ' ' TYR . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.468 ' C ' HG21 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.409 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 70' ' ' LEU . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.613 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.613 ' HB3' ' O ' ' B' ' 71' ' ' CYS . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.637 ' CB ' ' O ' ' B' ' 78' ' ' GLU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.437 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.542 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.575 ' O ' HG23 ' B' ' 90' ' ' VAL . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.545 HD12 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.627 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' B' ' 95' ' ' LEU . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.746 ' CD1' HD11 ' A' ' 64' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.51 HG13 ' N ' ' B' ' 98' ' ' LEU . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.525 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.441 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.705 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' B' ' 125' ' ' HIS . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.593 ' CE1' HG11 ' B' ' 121' ' ' VAL . 2.2 m170 -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.713 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.478 ' N ' HG22 ' A' ' 57' ' ' VAL . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.419 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 70' ' ' LEU . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.716 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.558 ' C ' ' HZ3' ' B' ' 82' ' ' LYS . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' B' ' 77' ' ' PRO . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' B' ' 85' ' ' ILE . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.756 ' HG ' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.756 ' HG ' ' HG ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.549 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.792 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.837 ' CD1' ' HB3' ' B' ' 64' ' ' LEU . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.738 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' GLN . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' A' ' 107' ' ' ARG . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 6.5 t60 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.496 ' CG2' ' CE2' ' A' ' 94' ' ' PHE . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.474 HG23 ' C ' ' B' ' 60' ' ' PRO . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.643 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.643 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.792 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.595 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' B' ' 58' ' ' SER . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.474 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.521 ' O ' HD11 ' B' ' 64' ' ' LEU . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.427 ' C ' HG22 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' B' ' 67' ' ' LEU . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.553 ' N ' HD11 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.536 ' HB2' ' CG1' ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.571 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.513 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.482 ' CG ' ' HG ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.615 ' CE3' HD23 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.559 ' O ' ' CD2' ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.558 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.562 ' CD1' HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 90' ' ' VAL . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.716 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.584 ' O ' HD12 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.642 ' CD2' ' CD1' ' B' ' 95' ' ' LEU . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.677 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.542 ' CG2' ' HB3' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.492 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 119' ' ' THR . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.492 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.456 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.447 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.667 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.667 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.6 m170 -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CB ' HD22 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CA ' HD13 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.534 HG23 ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.474 ' CA ' HG13 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.534 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 49' ' ' PHE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.574 ' CB ' ' CG2' ' B' ' 90' ' ' VAL . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.62 ' CE3' HD23 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.608 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.732 ' HE2' ' CD1' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.472 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.732 ' CD1' ' HE2' ' A' ' 80' ' ' HIS . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.503 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 95' ' ' LEU . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.641 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.751 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.684 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 94' ' ' PHE . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 112' ' ' MET . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.723 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.427 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.556 ' N ' ' HG ' ' A' ' 120' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' ' OE2' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.7 m170 -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.641 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' B' ' 56' ' ' GLU . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.477 ' OH ' ' CG1' ' A' ' 121' ' ' VAL . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.517 ' CG1' ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 63' ' ' ALA . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.442 ' N ' HD23 ' B' ' 64' ' ' LEU . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' B' ' 49' ' ' PHE . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.552 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.597 ' CB ' HG22 ' A' ' 90' ' ' VAL . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.638 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.574 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.451 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.503 ' CG2' HG12 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.573 ' O ' HG21 ' B' ' 90' ' ' VAL . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.499 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.62 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.584 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.566 ' O ' HD12 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.663 ' CZ ' HG22 ' B' ' 118' ' ' VAL . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.618 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.519 HG21 ' N ' ' B' ' 97' ' ' ILE . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.62 HG13 ' N ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.638 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' B' ' 101' ' ' GLU . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.493 ' CG2' HD13 ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.419 HH21 ' NH1' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.419 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.443 HD11 ' CG2' ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.663 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.592 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.0 m170 -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.515 ' O ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.433 ' C ' HG23 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.794 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' B' ' 97' ' ' ILE . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.591 ' SG ' ' CG2' ' B' ' 90' ' ' VAL . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 76' ' ' GLN . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.532 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.56 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.623 HD23 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.561 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 95' ' ' LEU . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CZ ' HG22 ' A' ' 117' ' ' ILE . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 97' ' ' ILE . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.515 ' N ' HG23 ' A' ' 96' ' ' THR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.578 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.546 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' GLU . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 104' ' ' ALA . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.604 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.546 ' CD2' ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.456 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.7 m170 -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.618 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' B' ' 53' ' ' CYS . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.441 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.488 ' C ' HG22 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' LEU . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.55 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.618 ' SG ' ' CE2' ' B' ' 49' ' ' PHE . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.623 ' CE3' HD23 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' B' ' 76' ' ' GLN . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.455 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' B' ' 84' ' ' GLN . 0.6 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.423 ' C ' ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.547 ' N ' ' HE3' ' B' ' 82' ' ' LYS . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.577 ' HB3' ' CD2' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.591 ' O ' HG21 ' B' ' 90' ' ' VAL . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.591 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.41 ' HA ' HD22 ' B' ' 95' ' ' LEU . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 49' ' ' PHE . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.794 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.557 HD11 ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.474 ' CB ' HD13 ' B' ' 120' ' ' LEU . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.48 HG12 ' N ' ' B' ' 103' ' ' GLN . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.48 ' N ' HG12 ' B' ' 102' ' ' ILE . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' B' ' 112' ' ' MET . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.415 ' CB ' ' HD3' ' B' ' 105' ' ' ARG . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.409 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.465 HD13 ' O ' ' B' ' 113' ' ' SER . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.522 HG22 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.611 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.1 m170 -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.728 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.605 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.609 ' HB3' ' CD1' ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.542 ' O ' ' SG ' ' A' ' 53' ' ' CYS . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.779 ' CD1' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.617 ' CE3' HD21 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.517 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' B' ' 75' ' ' LEU . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.59 ' CD1' ' HB3' ' B' ' 71' ' ' CYS . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.575 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 95' ' ' LEU . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.743 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' B' ' 54' ' ' TYR . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.508 ' O ' HD11 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.422 ' C ' HG11 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' A' ' 119' ' ' THR . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.479 HG22 ' C ' ' B' ' 60' ' ' PRO . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' B' ' 62' ' ' GLU . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.479 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.53 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.504 HD23 ' CD2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.474 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.606 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.477 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.557 ' CE3' HD21 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.407 ' HG2' ' HD3' ' A' ' 82' ' ' LYS . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.558 ' O ' ' CD2' ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.482 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.517 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.526 ' O ' HG22 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.617 HD21 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.608 ' O ' HD13 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.621 ' HA ' HD23 ' B' ' 95' ' ' LEU . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.678 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.56 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.463 ' HB2' ' NH1' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.463 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.758 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.4 m170 -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CE2' ' HE1' ' B' ' 125' ' ' HIS . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 58' ' ' SER . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.767 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.507 HD21 ' CG ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.691 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.704 HD13 ' CG2' ' B' ' 85' ' ' ILE . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.62 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.523 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.708 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.559 ' O ' HD11 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.552 ' HG3' ' CG ' ' B' ' 49' ' ' PHE . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.695 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 97' ' ' ILE . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.55 HG13 ' HG ' ' A' ' 98' ' ' LEU . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 107' ' ' ARG . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.423 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 110' ' ' CYS . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.461 HG21 ' CE2' ' A' ' 94' ' ' PHE . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 60' ' ' PRO . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.621 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.6 m170 -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.715 ' O ' ' C ' ' B' ' 53' ' ' CYS . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.502 ' CB ' ' HG2' ' B' ' 66' ' ' GLN . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.556 ' CG2' ' HB3' ' B' ' 62' ' ' GLU . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.449 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 56' ' ' GLU . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' B' ' 73' ' ' GLN . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.559 ' CB ' HG23 ' A' ' 90' ' ' VAL . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.708 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.512 ' HA ' ' CD2' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.704 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.54 ' O ' HG22 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' HA ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.691 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.608 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.619 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.413 ' HA ' HD21 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' B' ' 89' ' ' LEU . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.767 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.652 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.672 HG13 ' N ' ' B' ' 98' ' ' LEU . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.698 ' CD1' ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.524 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.538 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.538 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.74 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.533 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.646 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.646 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 8.7 m170 -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.734 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' TYR . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.666 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' B' ' 97' ' ' ILE . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.5 ' N ' HD21 ' A' ' 64' ' ' LEU . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.734 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.668 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.601 ' CE3' HD23 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.505 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.667 ' HZ3' ' HA ' ' B' ' 77' ' ' PRO . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.609 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.603 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.611 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 3.3 tp60 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' B' ' 64' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.62 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.505 ' O ' HD13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 99' ' ' PRO . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.513 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.405 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.714 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.706 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.706 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 18.6 m170 -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.474 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.625 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.725 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' B' ' 49' ' ' PHE . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.58 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.625 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.609 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.696 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.667 ' HA ' ' HZ3' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.602 ' O ' ' CG ' ' B' ' 80' ' ' HIS . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.466 ' O ' ' CD1' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.584 ' O ' HD12 ' B' ' 89' ' ' LEU . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.601 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.517 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.719 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.748 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.663 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.675 ' CG2' ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.695 HD12 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.553 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.595 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' B' ' 97' ' ' ILE . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.624 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.652 ' CG2' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.422 ' O ' HG12 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.405 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.5 ' C ' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.652 ' N ' ' CG2' ' A' ' 57' ' ' VAL . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 49' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.524 ' O ' ' CA ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.533 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.447 ' N ' ' HB3' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.532 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.561 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.679 ' CD ' ' CZ ' ' B' ' 49' ' ' PHE . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' B' ' 64' ' ' LEU . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.731 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 97' ' ' ILE . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 98' ' ' LEU . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' HG23 ' A' ' 102' ' ' ILE . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 103' ' ' GLN . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 125' ' ' HIS . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.516 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.571 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 50' ' ' ARG . 47.0 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' B' ' 51' ' ' ARG . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.527 ' OH ' ' ND1' ' A' ' 125' ' ' HIS . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.625 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' B' ' 62' ' ' GLU . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.416 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' PRO . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 70' ' ' LEU . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.583 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.493 ' CG ' ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.499 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.492 ' CD1' HG23 ' B' ' 85' ' ' ILE . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.522 ' CD1' HD23 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.688 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.586 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.722 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.638 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 64' ' ' LEU . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 52' ' ' PHE . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.425 ' HG2' ' CG2' ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' B' ' 113' ' ' SER . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.49 HG21 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.657 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.657 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.1 m170 -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.712 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CE2' ' CG1' ' B' ' 121' ' ' VAL . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.636 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.572 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.636 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.547 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.665 ' CZ3' HD21 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.542 ' CD1' HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' B' ' 77' ' ' PRO . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.512 ' CG2' ' CD1' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.604 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.588 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.558 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.577 ' CD ' ' CZ ' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.572 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 97' ' ' ILE . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.592 HG13 ' N ' ' A' ' 98' ' ' LEU . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG13 ' A' ' 97' ' ' ILE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.689 HH21 HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.689 HG22 HH21 ' A' ' 105' ' ' ARG . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.516 ' CD1' ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.62 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 18.9 m170 -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.458 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' B' ' 56' ' ' GLU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 52' ' ' PHE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 125' ' ' HIS . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.442 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.444 ' CB ' HD13 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.411 ' HG2' ' CE1' ' B' ' 52' ' ' PHE . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 70' ' ' LEU . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.57 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.447 ' CG ' ' HG2' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.518 ' N ' ' CD1' ' B' ' 79' ' ' LEU . 4.7 m170 -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' B' ' 88' ' ' LEU . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.618 ' O ' HD12 ' B' ' 89' ' ' LEU . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.665 HD21 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.473 ' HA ' HD21 ' B' ' 95' ' ' LEU . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.712 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 mm100 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.669 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.587 HG13 ' N ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.656 HD11 ' CE2' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.485 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.456 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.523 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' B' ' 98' ' ' LEU . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.708 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.485 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 11.3 m170 -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.567 ' CB ' ' CG2' ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 66' ' ' GLN . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CA ' HG21 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.647 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.474 ' N ' HD23 ' A' ' 64' ' ' LEU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.509 ' CD1' HG23 ' B' ' 85' ' ' ILE . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.548 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 90' ' ' VAL . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.602 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.505 ' O ' HD13 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.602 ' HG2' ' CE1' ' B' ' 49' ' ' PHE . 7.9 tp-100 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.809 ' CD1' HD12 ' B' ' 64' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.659 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 97' ' ' ILE . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.647 HG13 ' N ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.4 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.522 ' CG2' HD13 ' A' ' 98' ' ' LEU . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' HE1' ' A' ' 91' ' ' MET . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.725 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.683 ' CD2' HD21 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' B' ' 58' ' ' SER . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' B' ' 67' ' ' LEU . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.809 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.443 ' HB2' ' CG1' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' B' ' 69' ' ' GLN . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.605 ' CZ3' ' CE2' ' B' ' 49' ' ' PHE . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.523 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' B' ' 77' ' ' PRO . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.4 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.415 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.511 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.548 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.63 ' O ' HG21 ' B' ' 90' ' ' VAL . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.63 HG21 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.512 ' O ' HD12 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 91' ' ' MET . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.785 ' CD1' HD12 ' A' ' 64' ' ' LEU . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.649 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.567 ' CG2' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.508 ' O ' ' HB3' ' B' ' 112' ' ' MET . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.434 HG13 ' CE ' ' B' ' 112' ' ' MET . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.498 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.505 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' B' ' 125' ' ' HIS . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' B' ' 125' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.422 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.542 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.542 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' B' ' 94' ' ' PHE . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 49' ' ' PHE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.598 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.71 ' CE3' ' CD2' ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.541 ' CD1' ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.501 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' B' ' 80' ' ' HIS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' ILE . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.487 ' OE1' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.598 ' CG2' ' CD1' ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.677 ' CD2' ' CE3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' B' ' 68' ' ' ARG . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.611 ' O ' HD11 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HA ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.619 ' OE1' ' CD1' ' B' ' 49' ' ' PHE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' B' ' 64' ' ' LEU . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' B' ' 52' ' ' PHE . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.493 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.1 m170 -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.586 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 94' ' ' PHE . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' B' ' 70' ' ' LEU . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.681 ' HA ' HG23 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.416 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.539 ' N ' ' O ' ' B' ' 79' ' ' LEU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.456 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.541 ' CG2' ' CD1' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.52 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.589 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.586 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 95' ' ' LEU . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.651 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.681 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 98' ' ' LEU . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.565 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . 0.469 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.476 ' CG2' ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.476 ' SD ' ' CG2' ' B' ' 106' ' ' VAL . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 119' ' ' THR . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.681 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' B' ' 125' ' ' HIS . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CE1' HG13 ' B' ' 121' ' ' VAL . 20.8 m170 -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.409 HD22 ' O ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' B' ' 121' ' ' VAL . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.401 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.655 ' CD1' ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.656 HD22 ' CE2' ' A' ' 49' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.598 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CD2' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.691 ' CZ3' HD21 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.669 ' CD2' ' CD1' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.651 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.628 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.669 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.628 ' CD1' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.556 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 95' ' ' LEU . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HG2' ' CZ ' ' B' ' 49' ' ' PHE . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.659 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.665 HG22 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.666 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.524 ' CG2' HD13 ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.563 ' CD2' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.552 HG13 ' CE ' ' A' ' 112' ' ' MET . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.762 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.64 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.0 m170 -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.665 ' CD2' HG22 ' A' ' 97' ' ' ILE . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.553 HG23 ' C ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.515 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.653 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.553 ' C ' HG23 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.724 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.545 ' N ' HD21 ' B' ' 64' ' ' LEU . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' B' ' 49' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' B' ' 49' ' ' PHE . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.69 ' CD2' ' CD1' ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.531 ' CD2' ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.51 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.504 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.448 ' O ' HD23 ' B' ' 88' ' ' LEU . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.508 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 89' ' ' LEU . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.691 HD21 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.598 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 64' ' ' LEU . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.445 HG21 ' O ' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.484 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' B' ' 121' ' ' VAL . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.438 ' N ' HD11 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' B' ' 108' ' ' HIS . 2.5 t-160 -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.624 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' B' ' 125' ' ' HIS . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 0.5 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HB3' ' CG2' ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.516 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' C ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.57 ' O ' ' SG ' ' A' ' 53' ' ' CYS . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.756 HD11 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 49' ' ' PHE . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.557 ' CB ' HG21 ' B' ' 90' ' ' VAL . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.484 ' CG ' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.563 ' O ' ' C ' ' A' ' 76' ' ' GLN . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 80' ' ' HIS . 0.2 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HG13 ' B' ' 85' ' ' ILE . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HG ' ' HG ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.463 ' HA ' HD22 ' A' ' 95' ' ' LEU . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' B' ' 64' ' ' LEU . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.516 HG21 ' N ' ' A' ' 97' ' ' ILE . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.516 ' N ' HG21 ' A' ' 96' ' ' THR . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.611 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CG2' ' CG2' ' A' ' 121' ' ' VAL . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 109' ' ' ARG . 14.9 t60 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.428 ' H ' ' CD2' ' A' ' 108' ' ' HIS . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.638 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.0 m170 -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.611 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' A' ' 94' ' ' PHE . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.407 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.628 ' CE3' HD21 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.535 ' CD1' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.628 ' O ' ' CD2' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.726 ' H ' ' CD2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.615 ' O ' ' N ' ' B' ' 83' ' ' GLU . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.479 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.566 HG13 HG12 ' A' ' 85' ' ' ILE . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.606 ' O ' HG21 ' B' ' 90' ' ' VAL . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.606 HG21 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.522 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.759 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.756 ' CD1' HD11 ' A' ' 64' ' ' LEU . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.678 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.504 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' B' ' 108' ' ' HIS . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' B' ' 104' ' ' ALA . 38.3 m-70 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 113' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.516 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.487 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.5 m170 -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.627 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.531 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 65' ' ' SER . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 49' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.601 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.604 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.657 ' CE3' ' CD2' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.702 ' CD2' ' HG3' ' A' ' 77' ' ' PRO . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' ' ND1' ' B' ' 80' ' ' HIS . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' B' ' 85' ' ' ILE . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 90' ' ' VAL . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.724 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.621 ' HG3' ' CD2' ' B' ' 49' ' ' PHE . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PHE . . . . . 0.638 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.67 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 15.8 t-160 -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.523 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.448 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.515 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.621 HG11 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.457 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . 0.621 ' CE1' HG11 ' A' ' 121' ' ' VAL . 8.9 m170 -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.59 ' CD1' HG12 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 52' ' ' PHE . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' B' ' 54' ' ' TYR . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLU . . . . . 0.459 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 94' ' ' PHE . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.444 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' B' ' 49' ' ' PHE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ARG . . . . . 0.636 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' B' ' 73' ' ' GLN . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' CYS . . . . . 0.554 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.48 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' TRP . . . . . 0.724 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' B' ' 88' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' B' ' 81' ' ' THR . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' CB ' ' B' ' 77' ' ' PRO . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' ILE . . . . . 0.597 HG21 ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . 0.513 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' LEU . . . . . 0.564 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . 0.657 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' MET . . . . . 0.587 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 91' ' ' MET . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' GLN . . . . . 0.635 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' LEU . . . . . 0.621 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' THR . . . . . 0.481 HG23 ' HA ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' ILE . . . . . 0.594 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' GLN . . . . . 0.429 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 107' ' ' ARG . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ARG . . . . . 0.419 ' CD ' ' C ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' MET . . . . . 0.503 ' HE2' ' CB ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' GLU . . . . . 0.503 ' CB ' ' HE2' ' B' ' 112' ' ' MET . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' VAL . . . . . 0.531 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' VAL . . . . . 0.624 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.84 131.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.36 151.24 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.82 166.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.65 91.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 108.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.71 2.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.37 161.23 6.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.26 6.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 111.074 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -175.26 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.05 -52.37 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 51' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.624 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.51 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 47' ' ' GLN . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.499 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.597 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.477 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.523 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.602 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.477 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.802 HD13 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.468 ' N ' HD23 ' A' ' 64' ' ' LEU . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 49' ' ' PHE . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' O ' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.478 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.62 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.498 HD12 ' CG2' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.535 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.524 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.488 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.493 ' CE ' ' HG3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.534 ' CD1' HG12 ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.57 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.645 HD22 ' CE3' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.57 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.626 ' O ' ' HB ' ' A' ' 96' ' ' THR . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.611 ' HG2' ' CZ ' ' B' ' 49' ' ' PHE . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.711 ' CZ ' ' CD1' ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 98' ' ' LEU . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.613 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.573 ' CG2' ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 3.3 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 103' ' ' GLN . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.478 ' CD2' ' C ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.43 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.461 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.445 ' CB ' ' HE2' ' A' ' 91' ' ' MET . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' O ' ' HB ' ' A' ' 119' ' ' THR . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.43 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.461 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.43 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.593 HG11 ' CE2' ' B' ' 54' ' ' TYR . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.517 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 123' ' ' ASP . . . -111.09 -165.79 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 m -162.34 74.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 176.72 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.94 121.11 3.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -107.52 91.96 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 172.63 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -123.45 -48.29 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 46.6 79.15 0.36 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.6 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -165.69 86.67 0.96 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.78 50.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -55.56 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' B' ' 49' ' ' PHE . 65.3 m -53.12 -24.3 10.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 108.235 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.79 HH21 HD13 ' B' ' 111' ' ' LEU . 6.2 tmm_? -77.89 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER -61.73 -10.88 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.588 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.562 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.613 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.553 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.467 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.438 ' C ' HG21 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.711 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.588 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.555 HD23 ' CE2' ' B' ' 49' ' ' PHE . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.514 ' N ' ' O ' ' B' ' 67' ' ' LEU . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.637 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 7.8 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.645 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.517 ' CD2' HD23 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.493 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.461 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.534 HG12 ' CD1' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.62 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.501 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.62 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.509 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' B' ' 46' ' ' ARG . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.624 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.802 ' CD1' HD13 ' A' ' 64' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.694 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.575 HG23 ' CD2' ' A' ' 52' ' ' PHE . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.631 ' CD1' ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.497 ' HA ' ' CD2' ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.47 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.577 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.457 ' CB ' HD22 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.48 ' CG2' ' H ' ' B' ' 107' ' ' ARG . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.577 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 3.9 t-160 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.79 HD13 HH21 ' B' ' 46' ' ' ARG . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.425 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.405 ' OE1' ' O ' ' B' ' 116' ' ' GLU . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.625 ' CG2' ' CE2' ' B' ' 94' ' ' PHE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.541 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.497 ' CD2' ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.623 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.449 ' CA ' ' HB3' ' B' ' 127' ' ' ALA . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.2 m170 -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.417 ' O ' ' HG2' ' B' ' 126' ' ' ARG . 20.3 ttt180 175.53 71.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.449 ' HB3' ' CA ' ' B' ' 123' ' ' ASP . . . -57.23 -167.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -170.68 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.87 142.41 36.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 150.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.92 39.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.2 p -81.39 111.94 18.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 0.729 . . . . 0.0 109.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -152.77 170.25 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -165.33 147.22 7.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 p -43.11 127.99 3.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' CG ' ' NH2' ' A' ' 46' ' ' ARG . 12.3 t0 -159.97 84.13 2.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -179.97 5.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.06 14.25 17.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.66 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 41' ' ' ASP . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.619 ' C ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.451 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.449 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.421 ' C ' HG23 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.523 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.463 ' HA ' ' CG2' ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.732 HD12 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.606 ' N ' HD21 ' A' ' 64' ' ' LEU . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.532 HD22 ' CD1' ' A' ' 52' ' ' PHE . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.575 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.456 ' CD1' ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' CD1' HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.448 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.504 ' CD ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.504 HG21 ' CG2' ' B' ' 85' ' ' ILE . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.627 ' O ' HG22 ' A' ' 90' ' ' VAL . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.435 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.657 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.558 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.459 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.57 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 12.6 tp60 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.741 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.436 HG22 ' NE2' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.508 HD13 ' CD2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 109' ' ' ARG . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.53 ' CD2' ' O ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.464 ' HE2' ' CB ' ' A' ' 116' ' ' GLU . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.464 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.537 HG22 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.412 ' N ' ' C ' ' A' ' 117' ' ' ILE . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.565 ' C ' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.472 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.1 m170 -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -46.77 164.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.8 -49.78 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.2 176.08 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -40.93 104.13 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.51 29.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 31.3 p 177.24 128.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 134.67 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.58 121.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 30.7 p -166.96 146.11 4.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 108.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.34 32.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.04 154.8 70.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 65.8 28.06 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' B' ' 45' ' ' CYS . 0.5 OUTLIER -80.47 -58.9 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.411 ' N ' ' CD1' ' B' ' 44' ' ' LEU . 7.4 m -52.06 -27.93 15.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' B' ' 92' ' ' GLU . 0.1 OUTLIER -80.41 -47.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.614 HE21 HH21 ' B' ' 50' ' ' ARG . 2.4 tt0 -66.46 -11.05 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.605 ' CE2' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.614 HH21 HE21 ' B' ' 47' ' ' GLN . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.558 ' CE1' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.521 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.475 ' CG1' ' OE1' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.445 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.495 ' OE2' ' CB ' ' B' ' 65' ' ' SER . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.605 HD21 ' CE2' ' B' ' 49' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.573 ' HA ' HG21 ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.488 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.574 ' SG ' ' CE2' ' B' ' 49' ' ' PHE . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' CB ' ' B' ' 45' ' ' CYS . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.657 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.532 ' CD1' HD21 ' A' ' 89' ' ' LEU . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.556 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.556 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.49 ' N ' ' OG1' ' B' ' 81' ' ' THR . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.419 ' OE2' HG21 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.516 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.516 ' HB2' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.569 ' CD1' ' HA ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.575 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.591 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.605 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.529 ' NE2' ' HA ' ' A' ' 50' ' ' ARG . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.732 ' CD1' HD12 ' A' ' 64' ' ' LEU . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.635 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.471 ' CG2' ' OE1' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.562 HG13 ' N ' ' B' ' 98' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.41 HD12 ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.438 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.438 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.412 ' N ' HD23 ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.408 ' HB2' ' O ' ' B' ' 111' ' ' LEU . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.495 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' B' ' 119' ' ' THR . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.556 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.706 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.474 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.474 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 20.9 m170 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 122' ' ' GLU . 3.2 mtm180 -104.47 -61.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 126' ' ' ARG . . . 59.35 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t 179.42 49.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -173.01 -153.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.459 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 175.87 -57.96 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.225 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . 0.459 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -74.98 134.17 17.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -91.16 166.51 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 145.19 38.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -149.08 151.85 35.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.99 117.14 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 108.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 130.02 12.93 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 8.0 m-20 52.13 65.02 6.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -174.03 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 110.242 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 48' ' ' SER . 1.3 tm? -71.1 -54.89 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.65 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.722 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.722 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.493 HG23 ' CB ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.479 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' CB ' HG23 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.472 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.647 HD12 ' CE1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.587 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.63 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.558 ' CZ2' HD13 ' A' ' 88' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.607 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.431 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' CD1' ' CD2' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.578 ' CD2' ' CD ' ' A' ' 84' ' ' GLN . 13.2 m170 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.469 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.5 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.468 ' N ' ' C ' ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.578 ' CD ' ' CD2' ' A' ' 80' ' ' HIS . 6.9 mm-40 -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.474 ' O ' HD13 ' A' ' 89' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.564 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.558 HD13 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.581 HD23 ' CE3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.569 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.543 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.551 ' HA ' HD21 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.43 ' HA ' HG21 ' A' ' 96' ' ' THR . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.753 ' CD1' HD12 ' B' ' 64' ' ' LEU . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.685 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.43 HG21 ' HA ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.597 HG23 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.621 HD12 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.539 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.539 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.444 ' HG3' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG11 ' CD2' ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.5 ' C ' ' CG ' ' A' ' 112' ' ' MET . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.407 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.407 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.69 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.479 ' CD1' ' HB3' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.691 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.691 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 16.6 m170 -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.458 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . -45.01 126.97 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.9 t -163.18 34.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.45 148.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' CD ' ' OG1' ' A' ' 119' ' ' THR . 0.0 OUTLIER -149.8 152.83 35.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.3 42.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -128.13 169.12 14.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 137.37 28.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' B' ' 39' ' ' CYS . 3.9 t-20 -88.13 169.23 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 40' ' ' PRO . 0.4 OUTLIER 167.3 -54.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 39' ' ' CYS . 18.3 Cg_endo -74.97 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' B' ' 40' ' ' PRO . 0.2 OUTLIER 163.44 115.31 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 57.08 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 169.28 43.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -79.5 -55.77 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 25.6 p -56.73 -26.12 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.359 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.527 ' HG2' ' CD1' ' B' ' 74' ' ' TRP . 3.1 mtt180 -75.36 -57.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -11.03 53.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.597 ' CD1' HG23 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.413 ' O ' ' O ' ' B' ' 52' ' ' PHE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.528 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG12 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.528 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.44 ' N ' HG21 ' B' ' 57' ' ' VAL . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.753 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.438 ' N ' HD23 ' B' ' 64' ' ' LEU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.553 HD21 ' CD2' ' B' ' 49' ' ' PHE . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.569 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.641 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.474 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.641 ' HB3' ' O ' ' B' ' 71' ' ' CYS . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.523 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.599 ' O ' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.2 m170 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.439 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.435 ' CG ' ' N ' ' B' ' 84' ' ' GLN . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.474 ' O ' ' CB ' ' B' ' 88' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.527 ' CD2' ' HA ' ' A' ' 72' ' ' ARG . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.545 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.63 ' CD1' ' HB3' ' A' ' 71' ' ' CYS . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.564 ' CG2' ' CB ' ' A' ' 71' ' ' CYS . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.57 ' O ' HD11 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.439 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.65 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.65 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.618 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.46 HG23 ' HA ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.577 HD11 ' CE2' ' A' ' 52' ' ' PHE . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.473 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.473 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.479 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.494 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.639 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.474 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.639 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.7 m170 -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 175.37 65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -42.19 142.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -161.32 58.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 173.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 115.61 53.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.77 43.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m 45.95 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -140.96 95.55 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.377 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 9.9 t30 -133.68 102.72 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 165.39 -53.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.0 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -126.37 128.93 24.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -146.97 28.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -70.66 -48.75 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.641 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.607 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.509 HG23 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.446 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.509 ' N ' HG23 ' A' ' 57' ' ' VAL . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.623 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.562 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.615 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.617 ' CE3' HD21 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.547 ' CD1' HD22 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.48 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.72 ' CB ' ' O ' ' A' ' 78' ' ' GLU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' N ' ' CD2' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.469 ' C ' ' N ' ' A' ' 83' ' ' GLU . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.545 ' O ' ' CD2' ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.555 HG22 ' CD1' ' B' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.565 ' O ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.456 ' CD2' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.658 HD21 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.598 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.606 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.559 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.635 ' OE1' ' CZ ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.744 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.668 HD11 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.559 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.489 HG13 ' N ' ' A' ' 98' ' ' LEU . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' HA ' ' CD2' ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 107' ' ' ARG . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.491 ' HB ' ' CD2' ' A' ' 111' ' ' LEU . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.491 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.412 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.53 HG21 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.412 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.501 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.701 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.701 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 20.7 m170 -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 43.77 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.5 p -145.76 82.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.64 174.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.16 100.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.35 33.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.5 t -127.51 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.87 152.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -168.73 130.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 16.3 m -145.28 84.3 8.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.96 121.66 19.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 68.69 5.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 178.23 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.76 -52.58 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.421 ' O ' ' HB3' ' B' ' 49' ' ' PHE . 1.8 m -58.31 -25.67 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.6 OUTLIER -79.34 -49.29 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.417 ' N ' ' HD3' ' B' ' 46' ' ' ARG . 3.2 tt0 -68.78 -10.9 59.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.551 ' CD1' HD22 ' A' ' 98' ' ' LEU . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.51 HG23 ' CB ' ' B' ' 62' ' ' GLU . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.431 ' H ' ' C ' ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.428 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.497 ' O ' ' CD1' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.51 ' CB ' HG23 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.744 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.472 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.418 HD12 ' CG2' ' A' ' 97' ' ' ILE . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.598 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' B' ' 70' ' ' LEU . 2.6 pt20 -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' B' ' 69' ' ' GLN . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.658 ' CZ3' HD21 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.561 ' O ' ' O ' ' B' ' 76' ' ' GLN . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.491 ' O ' HD12 ' B' ' 89' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.641 ' O ' HG22 ' B' ' 90' ' ' VAL . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.41 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.471 ' CD2' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.617 HD21 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.641 HG22 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.544 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.641 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.623 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.668 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.518 HG22 ' N ' ' B' ' 97' ' ' ILE . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.518 ' N ' HG22 ' B' ' 96' ' ' THR . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.608 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.402 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.442 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.497 ' HA ' ' CG1' ' B' ' 106' ' ' VAL . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.443 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.497 ' CG1' ' HA ' ' B' ' 103' ' ' GLN . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.4 ' N ' ' CG1' ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.447 ' CD1' HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.454 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.443 ' O ' ' N ' ' B' ' 116' ' ' GLU . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.454 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.447 HG12 ' CD1' ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.446 HG22 ' C ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.531 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.7 m170 -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -81.86 -46.41 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.24 168.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.25 57.89 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -130.18 158.55 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 159.68 44.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.62 42.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.446 1.761 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -176.78 172.94 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 179.21 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.66 102.52 2.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 56.8 m 42.54 65.19 5.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.03 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 124.46 37.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.91 3.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 168.92 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 48' ' ' SER . 1.0 OUTLIER -80.41 -60.97 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 44' ' ' LEU . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.625 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.625 ' CE2' HD12 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.494 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.454 ' N ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.427 ' CB ' HD13 ' B' ' 97' ' ' ILE . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD21 ' CD2' ' A' ' 49' ' ' PHE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.554 ' CB ' ' CG2' ' B' ' 90' ' ' VAL . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.425 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.636 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.514 HD12 ' CG2' ' B' ' 85' ' ' ILE . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.447 ' C ' ' H ' ' A' ' 83' ' ' GLU . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.447 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' OE1' ' ND1' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.51 HG12 ' CG2' ' B' ' 85' ' ' ILE . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HG23 ' A' ' 90' ' ' VAL . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CD1' ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' B' ' 68' ' ' ARG . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.583 ' O ' HD11 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.504 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.714 ' HG2' ' CD1' ' B' ' 49' ' ' PHE . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.612 ' CE1' HD13 ' B' ' 64' ' ' LEU . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.7 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.472 HG23 ' N ' ' A' ' 97' ' ' ILE . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.602 HG13 ' N ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.602 ' N ' HG13 ' A' ' 97' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.416 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.518 HD11 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.518 ' N ' HD11 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.414 ' HE1' ' N ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.514 ' HB2' ' CE ' ' A' ' 91' ' ' MET . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 119' ' ' THR . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.458 HG22 ' CA ' ' B' ' 60' ' ' PRO . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.71 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.647 ' HA ' ' HE2' ' A' ' 125' ' ' HIS . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.75 -145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.6 m -57.99 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.15 -163.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 85.34 49.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 158.41 42.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.83 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 20.66 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -126.66 12.44 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -158.19 134.29 6.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 68.68 5.8 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.37 163.6 0.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.18 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -141.24 -44.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.219 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.416 ' CD1' ' N ' ' B' ' 45' ' ' CYS . 0.2 OUTLIER -67.36 -55.19 14.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.416 ' N ' ' CD1' ' B' ' 44' ' ' LEU . 0.8 OUTLIER -74.53 -35.31 63.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.322 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.491 ' O ' ' HA ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER -60.76 -33.29 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -84.35 -38.09 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.714 ' CD1' ' HG2' ' A' ' 93' ' ' GLN . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.623 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.451 ' OH ' ' CE1' ' A' ' 125' ' ' HIS . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.458 ' CA ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.464 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.612 HD13 ' CE1' ' A' ' 94' ' ' PHE . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.63 HD21 ' CD1' ' B' ' 49' ' ' PHE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.613 HD11 ' CE1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.543 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.432 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.72 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.594 ' CD1' ' CD2' ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.61 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 1.7 m170 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.493 ' CG2' ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.477 ' CG ' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.416 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.514 ' CG2' HD12 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' B' ' 82' ' ' LYS . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.569 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.636 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.559 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.585 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.428 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.625 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.592 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.486 HG22 ' HA ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.625 HD12 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.666 ' CD1' ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.465 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' B' ' 99' ' ' PRO . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' B' ' 98' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.54 ' O ' ' CD ' ' B' ' 107' ' ' ARG . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.406 ' HE2' ' N ' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.541 ' CD1' ' O ' ' B' ' 113' ' ' SER . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.721 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.614 HG11 ' CE1' ' B' ' 125' ' ' HIS . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.614 ' CE1' HG11 ' B' ' 121' ' ' VAL . 23.0 m170 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -97.71 -41.95 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.38 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.45 46.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.06 -65.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.08 147.2 46.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.83 28.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.579 1.831 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 171.39 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 27.85 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -125.29 -163.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -136.28 66.03 58.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.324 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CB ' ' HB2' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.04 118.95 5.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 169.88 166.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -81.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.1 22.57 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 2.3 tm? -75.16 -50.42 16.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.658 ' CD2' ' O ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.603 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CE1' ' CB ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.471 ' OH ' ' CG1' ' B' ' 121' ' ' VAL . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HB3' ' A' ' 65' ' ' SER . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.605 HD12 ' CE1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.535 HD23 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.495 ' HB2' ' NH2' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.65 ' SG ' ' CE1' ' A' ' 49' ' ' PHE . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.504 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.624 ' CZ2' HD12 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.576 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.414 HD11 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.472 ' CE1' ' HG3' ' A' ' 84' ' ' GLN . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.454 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.487 HG12 ' CG2' ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.556 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.624 HD12 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.67 HD21 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.556 HG22 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.533 ' O ' HD13 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 91' ' ' MET . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.584 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.614 ' CE1' HD11 ' B' ' 64' ' ' LEU . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.66 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.419 HG21 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.457 HG13 ' N ' ' A' ' 98' ' ' LEU . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.61 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.527 ' CA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.481 ' N ' HG12 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.605 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.512 ' CG2' HD23 ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.637 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.425 ' HB2' ' O ' ' A' ' 108' ' ' HIS . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.441 ' CD2' ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.502 ' CG ' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' HG2' ' SD ' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.501 ' CD1' ' O ' ' A' ' 113' ' ' SER . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.473 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.527 HD21 ' CA ' ' A' ' 102' ' ' ILE . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.447 HG12 ' NE2' ' A' ' 125' ' ' HIS . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.505 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.449 ' NE2' ' HH ' ' B' ' 54' ' ' TYR . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -44.0 125.89 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 t -161.25 28.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.18 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt 58.56 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.53 100.51 2.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 160.74 40.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.427 ' HE2' ' CB ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -178.73 147.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.01 152.54 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.25 125.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.93 133.42 18.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.46 25.32 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.435 1.756 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -120.03 145.59 40.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 54.44 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 3.3 mt-10 161.54 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.2 -57.41 3.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 46' ' ' ARG . 12.8 m -55.61 -22.87 24.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.265 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.567 ' CG ' ' CD1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -78.16 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -63.13 -10.19 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.584 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.607 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.523 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.505 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.427 ' CB ' ' HE2' ' A' ' 132' ' ' LYS . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.523 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 57' ' ' VAL . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.614 HD11 ' CE1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.515 ' O ' ' N ' ' B' ' 70' ' ' LEU . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.536 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.515 ' N ' ' O ' ' B' ' 67' ' ' LEU . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.556 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.67 ' CE3' HD21 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.52 ' CD2' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.419 HD11 ' CD2' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.419 ' CD2' HD11 ' B' ' 79' ' ' LEU . 13.4 m170 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.484 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.508 ' CG ' ' HB3' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.49 ' O ' HD11 ' B' ' 89' ' ' LEU . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.615 ' O ' ' CG2' ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.442 HD22 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.587 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.615 ' CG2' ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.638 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.605 ' CE1' HD12 ' A' ' 64' ' ' LEU . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.674 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.422 HG21 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.446 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.524 ' CB ' ' CD ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.527 HD12 ' CB ' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' B' ' 100' ' ' GLU . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 5.5 t-160 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.484 ' N ' ' CD2' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.403 ' O ' ' HB ' ' B' ' 119' ' ' THR . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.43 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.444 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.526 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.609 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.8 m170 -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' B' ' 127' ' ' ALA . 0.1 OUTLIER 166.32 39.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 126' ' ' ARG . . . 36.66 -153.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' B' ' 128' ' ' SER . 0.9 OUTLIER -164.13 34.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.47 73.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 117.07 64.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 162.99 35.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -79.16 135.34 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -173.14 111.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -41.64 159.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.43 130.04 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 108.358 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.74 95.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.403 ' O ' ' HB2' ' A' ' 43' ' ' GLU . 18.0 Cg_endo -75.06 -27.9 9.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.022 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 42' ' ' PRO . 1.6 mt-10 65.66 34.89 7.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.368 1.042 . . . . 0.0 110.308 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.26 -55.82 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.53 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.68 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.48 ' CZ ' HG12 ' A' ' 57' ' ' VAL . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.502 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CE2' ' HE1' ' B' ' 125' ' ' HIS . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB1' HD12 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.746 HD11 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.512 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CE2' ' A' ' 49' ' ' PHE . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.581 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.423 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.627 ' CE3' HD23 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 88' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' CG ' ' HG3' ' B' ' 77' ' ' PRO . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.542 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.559 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.631 ' CD2' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.589 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 86' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.576 ' O ' HD11 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.443 ' HA ' HD21 ' A' ' 95' ' ' LEU . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.598 ' CE2' ' CG2' ' A' ' 117' ' ' ILE . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.646 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.47 HG22 ' N ' ' A' ' 97' ' ' ILE . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.523 HG13 ' N ' ' A' ' 98' ' ' LEU . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CG2' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 100' ' ' GLU . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.529 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.49 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.416 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.49 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.664 ' O ' HD13 ' A' ' 120' ' ' LEU . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.664 HD13 ' O ' ' A' ' 117' ' ' ILE . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.589 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.2 m170 -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.33 159.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -44.79 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 161.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 124.54 0.41 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.35 41.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.545 1.813 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.93 -56.97 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 174.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 39' ' ' CYS . 1.6 m-20 59.25 159.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' B' ' 38' ' ' ASN . 28.5 p 38.72 72.89 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 152.09 61.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.23 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.83 -58.04 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 29.2 p -54.97 -25.03 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.49 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 61.9 ttt-85 -73.82 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.38 -12.02 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.488 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.583 ' CD2' HG13 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.459 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.583 HG13 ' CD2' ' B' ' 54' ' ' TYR . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.468 ' C ' HG21 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.409 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.505 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.586 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 70' ' ' LEU . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.613 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.613 ' HB3' ' O ' ' B' ' 71' ' ' CYS . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.538 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.637 ' CB ' ' O ' ' B' ' 78' ' ' GLU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.437 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.542 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.575 ' O ' HG23 ' B' ' 90' ' ' VAL . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.545 HD12 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.627 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.575 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.424 ' HA ' HD13 ' B' ' 95' ' ' LEU . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.68 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.746 ' CD1' HD11 ' A' ' 64' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.499 HG23 ' HA ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.51 HG13 ' N ' ' B' ' 98' ' ' LEU . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.525 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.525 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.458 ' CD2' ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.461 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.441 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.461 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.705 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.401 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.51 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.593 HG11 ' CE1' ' B' ' 125' ' ' HIS . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.593 ' CE1' HG11 ' B' ' 121' ' ' VAL . 2.2 m170 -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.41 -39.73 20.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.38 -72.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.77 -71.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 tttt 43.13 50.91 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' B' ' 131' ' ' PRO . 0.0 OUTLIER -52.09 -56.03 25.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -75.06 141.53 26.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -59.03 -65.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 0.766 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.98 166.33 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -55.81 129.53 39.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 167.79 -56.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.01 139.11 23.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.99 69.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' OE2' ' CG ' ' A' ' 103' ' ' GLN . 6.2 pt-20 -66.95 -19.46 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -71.45 -51.72 22.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.713 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.713 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.556 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.478 ' N ' HG22 ' A' ' 57' ' ' VAL . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.419 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.624 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.51 ' O ' ' N ' ' A' ' 70' ' ' LEU . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.636 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.716 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.558 ' C ' ' HZ3' ' B' ' 82' ' ' LYS . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.494 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' CG ' ' HG2' ' B' ' 77' ' ' PRO . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.562 HG12 ' CD1' ' B' ' 85' ' ' ILE . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.756 ' HG ' ' HG ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.756 ' HG ' ' HG ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 86' ' ' LEU . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.549 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.792 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.837 ' CD1' ' HB3' ' B' ' 64' ' ' LEU . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.738 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' GLN . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.461 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.58 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.445 ' CG ' ' OE2' ' A' ' 43' ' ' GLU . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 6.5 t60 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.496 ' CG2' ' CE2' ' A' ' 94' ' ' PHE . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.474 HG23 ' C ' ' B' ' 60' ' ' PRO . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.643 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.643 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -51.5 127.72 20.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.04 32.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.87 160.15 21.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 72.6 48.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.7 42.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.582 1.833 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -113.49 67.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.26 177.18 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 34.8 t30 179.4 96.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 69.44 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 108.294 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.45 4.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.583 1.833 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -163.32 101.04 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -152.72 -44.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' B' ' 44' ' ' LEU . 0.4 OUTLIER -72.1 -53.49 12.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' B' ' 49' ' ' PHE . 28.7 p -53.88 -27.83 32.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.49 -47.83 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -65.85 -12.41 54.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.792 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.595 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.702 ' CE1' ' CD2' ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.542 ' O ' ' CB ' ' B' ' 58' ' ' SER . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.474 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.521 ' O ' HD11 ' B' ' 64' ' ' LEU . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.427 ' C ' HG22 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.604 ' O ' ' HG ' ' B' ' 67' ' ' LEU . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.553 ' N ' HD11 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.536 ' HB2' ' CG1' ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.702 ' CD2' ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.571 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.513 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.482 ' CG ' ' HG ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.615 ' CE3' HD23 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.552 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.471 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.515 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.559 ' O ' ' CD2' ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.559 ' CD2' ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.558 ' HZ3' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.562 ' CD1' HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.609 ' O ' HG23 ' B' ' 90' ' ' VAL . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.716 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.609 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.584 ' O ' HD12 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.473 ' CA ' HD21 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.642 ' CD2' ' CD1' ' B' ' 95' ' ' LEU . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.677 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.499 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.542 ' CG2' ' HB3' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.492 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 119' ' ' THR . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.492 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.456 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.447 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.524 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.667 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' B' ' 127' ' ' ALA . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.496 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.667 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.6 m170 -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 157.89 68.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.496 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -156.27 157.78 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' SER . . . . . 0.46 ' O ' ' N ' ' B' ' 130' ' ' LYS . 2.6 m -91.73 -47.49 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.61 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 128' ' ' SER . 14.6 pttt -128.47 157.97 73.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.94 162.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 110.032 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 76.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 p30 175.0 169.4 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.14 69.11 10.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.601 1.843 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.409 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 0.0 OUTLIER -165.23 64.56 1.03 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.51 -25.72 64.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -75.39 -50.83 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.415 ' CB ' HD22 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.454 ' CA ' HD13 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.534 HG23 ' C ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.474 ' CA ' HG13 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.534 ' C ' HG23 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.443 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.475 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 49' ' ' PHE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.584 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.574 ' CB ' ' CG2' ' B' ' 90' ' ' VAL . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.409 ' HA ' ' HG ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.62 ' CE3' HD23 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.608 ' O ' ' O ' ' A' ' 76' ' ' GLN . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.732 ' HE2' ' CD1' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.406 ' HB2' HG22 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.732 ' CD1' ' HE2' ' A' ' 80' ' ' HIS . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.642 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.638 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.503 ' O ' HD13 ' A' ' 95' ' ' LEU . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.412 ' HA ' HD23 ' A' ' 95' ' ' LEU . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.641 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.751 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.684 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.475 ' CG2' ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.527 ' CG1' ' O ' ' A' ' 94' ' ' PHE . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.55 ' CG2' HD12 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.416 ' C ' ' SD ' ' A' ' 112' ' ' MET . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.418 ' O ' HD11 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.427 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.723 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.936 ' HG1' ' HZ3' ' A' ' 129' ' ' LYS . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.556 ' N ' ' HG ' ' A' ' 120' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' O ' ' OE2' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.7 m170 -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 37.2 -154.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 39.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.936 ' HZ3' ' HG1' ' A' ' 119' ' ' THR . 0.0 OUTLIER -74.8 152.74 38.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 104.42 55.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.71 2.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.2 tptt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 165.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 90.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.75 142.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.91 99.98 0.74 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 107.16 2.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.94 116.66 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -61.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.52 1.8 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.36 38.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -80.07 -54.87 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 5.9 p -51.13 -25.49 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 108.254 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.632 ' CD ' ' CD1' ' B' ' 74' ' ' TRP . 4.8 mmp_? -81.05 -54.96 5.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -11.67 12.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.641 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.576 ' CE1' ' HB3' ' B' ' 56' ' ' GLU . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.477 ' OH ' ' CG1' ' A' ' 121' ' ' VAL . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.517 ' CG1' ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 63' ' ' ALA . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.563 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.488 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.692 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.442 ' N ' HD23 ' B' ' 64' ' ' LEU . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.608 HD22 ' CD2' ' B' ' 49' ' ' PHE . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.552 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.597 ' CB ' HG22 ' A' ' 90' ' ' VAL . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.535 ' HG3' ' N ' ' B' ' 73' ' ' GLN . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.535 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.638 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.574 HD22 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.439 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.401 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.451 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.439 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.503 ' CG2' HG12 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.573 ' O ' HG21 ' B' ' 90' ' ' VAL . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.499 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.514 ' HG ' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.62 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.584 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.566 ' O ' HD12 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.536 ' HB2' ' O ' ' B' ' 89' ' ' LEU . 1.0 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.663 ' CZ ' HG22 ' B' ' 118' ' ' VAL . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.618 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.519 HG21 ' N ' ' B' ' 97' ' ' ILE . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.62 HG13 ' N ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.638 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' B' ' 101' ' ' GLU . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.493 ' CG2' HD13 ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.419 HH21 ' NH1' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.443 ' CG2' HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.419 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.443 HD11 ' CG2' ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.442 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.442 ' CD1' ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.663 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.528 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.592 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.529 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.0 m170 -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 173.68 69.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.529 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -164.54 144.86 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 72.5 m -97.71 83.53 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.039 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -155.45 118.66 4.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.82 157.54 69.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.38 37.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t 178.16 122.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -36.18 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 43.94 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m 44.83 78.28 0.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.88 41.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 123.72 84.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.34 5.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.4 42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.94 -56.58 4.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.515 ' O ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CE2' HD11 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.433 ' C ' HG23 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.474 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HA ' ' CB ' ' A' ' 65' ' ' SER . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' B' ' 97' ' ' ILE . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.794 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.417 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.483 HD12 ' CG2' ' B' ' 97' ' ' ILE . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.591 ' SG ' ' CG2' ' B' ' 90' ' ' VAL . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.593 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.607 ' O ' ' C ' ' A' ' 76' ' ' GLN . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.532 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' C ' ' N ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.498 ' CB ' ' HG3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' N ' ' C ' ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.532 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.56 ' O ' HD11 ' A' ' 89' ' ' LEU . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.563 ' O ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.476 HD21 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.623 HD23 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG21 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.561 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' HA ' HD21 ' A' ' 95' ' ' LEU . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.422 ' HA ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.604 ' CZ ' HG22 ' A' ' 117' ' ' ILE . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.643 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 97' ' ' ILE . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.515 ' N ' HG23 ' A' ' 96' ' ' THR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.578 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.546 ' HB ' ' CD2' ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 100' ' ' GLU . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.588 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.401 ' CB ' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.548 ' CG1' ' H ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.588 ' HA ' ' O ' ' A' ' 104' ' ' ALA . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.453 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.507 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.449 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.604 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.504 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.546 ' CD2' ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.456 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.7 m170 -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -53.82 -71.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.2 t 47.32 47.95 16.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.58 172.94 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 152.5 17.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.37 2.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.567 1.825 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -166.78 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 -173.18 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -161.61 149.13 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 75.22 74.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.352 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.91 6.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.75 152.87 77.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.403 1.739 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.49 39.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -86.49 -49.26 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.404 ' O ' ' HB3' ' B' ' 49' ' ' PHE . 32.0 p -59.56 -31.64 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.528 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -77.96 -53.22 7.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.96 -11.25 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.618 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.483 ' C ' ' O ' ' B' ' 53' ' ' CYS . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.441 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.488 ' C ' HG22 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.603 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.436 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' B' ' 70' ' ' LEU . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.55 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.618 ' SG ' ' CE2' ' B' ' 49' ' ' PHE . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.427 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.623 ' CE3' HD23 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.559 ' O ' ' O ' ' B' ' 76' ' ' GLN . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.455 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' B' ' 84' ' ' GLN . 0.6 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.423 ' C ' ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.547 ' N ' ' HE3' ' B' ' 82' ' ' LYS . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.577 ' HB3' ' CD2' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.523 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.591 ' O ' HG21 ' B' ' 90' ' ' VAL . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.593 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.591 ' CG2' ' SG ' ' A' ' 71' ' ' CYS . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.579 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.41 ' HA ' HD22 ' B' ' 95' ' ' LEU . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 49' ' ' PHE . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.794 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.656 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.438 HG21 ' HA ' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.557 HD11 ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.474 ' CB ' HD13 ' B' ' 120' ' ' LEU . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.48 HG12 ' N ' ' B' ' 103' ' ' GLN . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.48 ' N ' HG12 ' B' ' 102' ' ' ILE . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.432 ' N ' ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.941 ' NH1' ' HZ3' ' B' ' 132' ' ' LYS . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' B' ' 112' ' ' MET . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.415 ' CB ' ' HD3' ' B' ' 105' ' ' ARG . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.409 ' O ' ' HB ' ' B' ' 119' ' ' THR . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.465 HD13 ' O ' ' B' ' 113' ' ' SER . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.522 HG22 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.409 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.611 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.435 ' CA ' ' HB1' ' B' ' 127' ' ' ALA . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.611 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.1 m170 -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 176.51 70.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.435 ' HB1' ' CA ' ' B' ' 123' ' ' ASP . . . -52.69 175.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t -114.74 -53.21 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . 0.423 ' HZ3' ' HB3' ' B' ' 131' ' ' PRO . 3.3 tmtt? -143.78 -63.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.33 93.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . 0.423 ' HB3' ' HZ3' ' B' ' 129' ' ' LYS . 18.4 Cg_endo -74.92 146.65 33.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.941 ' HZ3' ' NH1' ' B' ' 109' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -139.5 76.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 0.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 126.51 31.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -174.69 111.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.93 68.54 8.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.41 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -150.23 84.13 5.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 55.63 4.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.2 mp0 65.84 27.43 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.76 -47.97 56.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.502 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.728 ' CD2' HD21 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.605 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.609 ' HB3' ' CD1' ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.438 ' CG2' ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.413 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.631 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.542 ' O ' ' SG ' ' A' ' 53' ' ' CYS . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.779 ' CD1' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD21 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.546 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.617 ' CE3' HD21 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 HD11 ' CD2' ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.522 ' CD1' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' N ' ' CD1' ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.417 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.466 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.517 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' CD1' HD13 ' B' ' 75' ' ' LEU . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.409 ' CB ' ' O ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.59 ' CD1' ' HB3' ' B' ' 71' ' ' CYS . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.575 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.581 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.656 ' HB3' HD12 ' A' ' 95' ' ' LEU . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.743 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.535 HD13 ' CD1' ' B' ' 54' ' ' TYR . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.646 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.508 ' O ' HD11 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.422 ' C ' HG11 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.42 ' N ' HG12 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.41 ' O ' ' HB ' ' A' ' 119' ' ' THR . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.505 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.479 HG22 ' C ' ' B' ' 60' ' ' PRO . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.41 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.507 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -152.78 155.71 37.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -118.84 83.42 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' LYS . 7.4 mmtt -126.87 129.18 47.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -39.38 108.01 0.47 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 130.26 13.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.7 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -177.27 74.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 0.713 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.03 141.15 40.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 168.54 137.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.59 137.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.52 40.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -165.81 126.3 1.28 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.644 1.215 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 78.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.31 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -75.66 -53.25 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.1 m -55.21 -24.19 26.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -78.12 -55.49 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.6 -11.97 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.438 ' N ' HG23 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.53 ' CG2' ' HB3' ' B' ' 62' ' ' GLU . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.479 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.53 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.624 HD12 ' CE1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.41 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.504 HD23 ' CD2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.474 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.606 ' CB ' ' CG2' ' A' ' 90' ' ' VAL . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.477 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.557 ' CE3' HD21 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.407 ' HG2' ' HD3' ' A' ' 82' ' ' LYS . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.558 ' O ' ' CD2' ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.558 ' CD2' ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.482 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.482 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.517 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.526 ' O ' HG22 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.42 ' HB2' ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.617 HD21 ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.565 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.608 ' O ' HD13 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.621 ' HA ' HD23 ' B' ' 95' ' ' LEU . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.678 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.78 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.621 HD23 ' HA ' ' B' ' 92' ' ' GLU . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.56 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.609 ' CD1' ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.78 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.528 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.463 ' HB2' ' NH1' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.446 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.463 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.758 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.596 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.4 m170 -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -61.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.01 -168.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.53 43.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -162.65 133.16 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . 0.465 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 173.26 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.0 Cg_endo -75.08 143.02 28.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 mppp? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -171.37 136.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.79 131.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.46 151.1 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -178.46 154.97 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -75.01 163.14 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.61 1.847 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -39.45 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.7 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.494 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . 8.3 pt-20 -169.82 31.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? -88.87 -37.06 15.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.494 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' O ' ' N ' ' A' ' 55' ' ' GLN . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.42 ' CE2' ' HE1' ' B' ' 125' ' ' HIS . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.569 ' CG1' ' N ' ' A' ' 58' ' ' SER . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.413 ' N ' HG12 ' A' ' 57' ' ' VAL . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.487 ' O ' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.527 ' HG2' ' CG2' ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.417 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.767 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.467 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.507 HD21 ' CG ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.527 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.691 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.704 HD13 ' CG2' ' B' ' 85' ' ' ILE . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.62 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.523 ' C ' ' CD2' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.429 ' C ' ' N ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.539 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' N ' ' C ' ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.48 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.492 HG23 ' CD1' ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.597 ' O ' HG23 ' A' ' 90' ' ' VAL . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.545 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.708 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.559 ' O ' HD11 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.493 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.552 ' HG3' ' CG ' ' B' ' 49' ' ' PHE . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.671 ' CD1' ' HG ' ' B' ' 64' ' ' LEU . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.695 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.448 HG22 ' N ' ' A' ' 97' ' ' ILE . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.55 HG13 ' HG ' ' A' ' 98' ' ' LEU . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.406 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.423 HG13 ' N ' ' A' ' 107' ' ' ARG . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.423 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 110' ' ' CYS . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.408 ' HB2' ' O ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.461 HG21 ' CE2' ' A' ' 94' ' ' PHE . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' B' ' 60' ' ' PRO . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.621 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.501 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.6 m170 -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.46 ' NH2' ' HG ' ' A' ' 128' ' ' SER . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -38.23 117.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.46 ' HG ' ' NH2' ' A' ' 126' ' ' ARG . 4.7 t -138.65 60.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' SER . 0.0 OUTLIER -39.96 110.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 138.8 6.37 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 148.75 35.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -175.18 127.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.76 57.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 170.24 160.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -47.76 105.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.419 ' HG2' ' CD1' ' A' ' 74' ' ' TRP . 18.5 Cg_endo -74.92 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 87.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -91.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.803 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.19 8.83 44.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' B' ' 48' ' ' SER . 2.8 tm? -64.4 -38.51 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 p -73.44 -24.35 60.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 108.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -55.61 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.09 -44.15 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.715 ' O ' ' C ' ' B' ' 53' ' ' CYS . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.502 ' CB ' ' HG2' ' B' ' 66' ' ' GLN . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.556 ' CG2' ' HB3' ' B' ' 62' ' ' GLU . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.449 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.556 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.445 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.671 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.502 ' HG2' ' CB ' ' B' ' 56' ' ' GLU . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.564 HD21 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.586 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.422 ' O ' ' HB2' ' B' ' 73' ' ' GLN . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.559 ' CB ' HG23 ' A' ' 90' ' ' VAL . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.414 ' HG3' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.422 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.708 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.512 ' HA ' ' CD2' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.482 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.486 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.421 ' HG3' ' CG2' ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.704 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.54 ' O ' HG22 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.512 ' CD2' ' HA ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.691 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.608 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.619 ' O ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.413 ' HA ' HD21 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' B' ' 89' ' ' LEU . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.767 ' CD1' ' HG ' ' A' ' 64' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.652 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.672 HG13 ' N ' ' B' ' 98' ' ' LEU . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.698 ' CD1' ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.496 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.524 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.524 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.538 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.538 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.74 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.533 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.646 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.508 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.646 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 8.7 m170 -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.49 71.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.508 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -166.77 175.45 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 -54.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 115.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -45.95 107.05 0.62 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.83 38.45 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 p -117.64 -61.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.74 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 74.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.33 167.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.71 72.74 68.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.42 24.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.4 67.24 0.34 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.17 5.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.73 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -70.29 -52.31 23.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.734 ' CE1' ' CD1' ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.47 ' N ' ' CG ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' O ' ' A' ' 54' ' ' TYR . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.404 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.666 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.425 ' HB2' HD13 ' B' ' 97' ' ' ILE . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.5 ' N ' HD21 ' A' ' 64' ' ' LEU . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.734 ' CD1' ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.522 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.668 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.601 ' CE3' HD23 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.505 ' CD2' ' HG ' ' A' ' 88' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.481 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.667 ' HZ3' ' HA ' ' B' ' 77' ' ' PRO . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.464 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.562 ' CG2' HD12 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' HG ' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.609 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.603 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.432 ' HA ' HD21 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.611 ' HG2' ' CE2' ' B' ' 49' ' ' PHE . 3.3 tp60 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.725 ' CD1' HD12 ' B' ' 64' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.62 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.493 HG21 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.62 HD11 ' CD2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.681 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.505 ' O ' HD13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.486 ' N ' ' C ' ' A' ' 99' ' ' PRO . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.513 ' O ' ' CG1' ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.513 ' CG1' ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.405 ' N ' ' CG2' ' A' ' 106' ' ' VAL . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 119' ' ' THR . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.494 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.714 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 115' ' ' LYS . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.499 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.706 ' CG1' ' CE1' ' A' ' 125' ' ' HIS . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.489 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.706 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 18.6 m170 -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -61.64 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.7 t 70.2 19.78 6.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -153.7 144.54 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.59 71.95 43.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.38 2.47 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.6 tptp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.42 157.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -178.35 176.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.8 166.49 15.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -74.83 142.45 76.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.263 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.39 9.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.33 163.82 65.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.7 Cg_endo -74.97 88.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.071 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 0.1 OUTLIER 165.36 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -77.99 -52.52 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.12 -30.32 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.656 ' NH2' ' CE3' ' B' ' 74' ' ' TRP . 12.6 mmm180 -78.74 -53.05 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -63.89 -10.94 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.611 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.62 ' CD2' HD11 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.474 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.625 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.444 ' HB2' HD13 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.725 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.538 HD22 ' CD2' ' B' ' 49' ' ' PHE . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.58 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.625 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' ' NH2' ' B' ' 46' ' ' ARG . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.696 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.667 ' HA ' ' HZ3' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.602 ' O ' ' CG ' ' B' ' 80' ' ' HIS . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.466 ' O ' ' CD1' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.492 ' HB2' ' CB ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.584 ' O ' HD12 ' B' ' 89' ' ' LEU . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.595 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.601 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.595 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.517 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.469 ' HA ' ' CD2' ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.719 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.748 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.663 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.675 ' CG2' ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.695 HD12 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.466 ' HB3' ' CD1' ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.513 ' O ' ' CG2' ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.553 ' CD2' ' C ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.417 ' HA ' ' CA ' ' B' ' 127' ' ' ALA . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 127' ' ' ALA . 0.0 OUTLIER 172.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' B' ' 126' ' ' ARG . . . 50.79 176.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 10.4 t 174.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 64.22 153.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.91 84.8 52.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.45 3.12 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -178.89 89.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -73.81 -67.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.94 70.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -169.1 157.85 7.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.253 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.53 6.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.55 156.53 77.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 94.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -171.4 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.67 -50.31 45.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.422 ' SG ' ' CD1' ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.595 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.649 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.562 ' HB3' ' CG2' ' B' ' 97' ' ' ILE . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.624 ' O ' ' CB ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.652 ' CG2' ' N ' ' A' ' 63' ' ' ALA . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.422 ' O ' HG12 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.405 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.5 ' C ' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.652 ' N ' ' CG2' ' A' ' 57' ' ' VAL . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.594 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.649 HD23 ' CD2' ' A' ' 49' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.552 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.524 ' O ' ' CA ' ' A' ' 76' ' ' GLN . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.688 ' CZ3' HD23 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.533 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.419 ' C ' ' N ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' N ' ' HB3' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.419 ' N ' ' C ' ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.521 ' O ' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.464 ' CD1' HG23 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.532 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.695 HD23 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.583 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.561 ' O ' ' CD2' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.468 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.679 ' CD ' ' CZ ' ' B' ' 49' ' ' PHE . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.59 ' CE1' HD11 ' B' ' 64' ' ' LEU . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.731 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 97' ' ' ILE . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.52 HG13 ' N ' ' A' ' 98' ' ' LEU . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.426 ' CG ' HG23 ' A' ' 102' ' ' ILE . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.537 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.467 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 ' CG2' ' HA ' ' A' ' 103' ' ' GLN . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.421 ' CD2' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.47 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.489 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.577 ' O ' ' N ' ' A' ' 125' ' ' HIS . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.516 ' N ' ' CG1' ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.571 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.571 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . 162.32 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 86.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.46 101.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.72 90.62 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.26 20.22 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 149.0 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 0.81 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 179.39 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -40.68 142.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 125.37 57.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -74.94 -171.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 40' ' ' PRO . 0.7 OUTLIER 61.7 136.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.11 25.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 71.52 42.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -83.05 -60.27 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 4.2 t -48.14 -30.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.56 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -81.05 -46.31 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.402 ' O ' ' CG ' ' B' ' 50' ' ' ARG . 47.0 tt0 -63.96 -12.67 39.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.625 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' B' ' 51' ' ' ARG . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.527 ' OH ' ' ND1' ' A' ' 125' ' ' HIS . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.625 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' B' ' 62' ' ' GLU . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.416 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 60' ' ' PRO . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.59 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.487 ' O ' ' N ' ' B' ' 70' ' ' LEU . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.583 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.493 ' CG ' ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.695 ' CZ3' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.499 ' OG1' ' N ' ' B' ' 82' ' ' LYS . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.499 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.429 ' HB2' ' CG2' ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.492 ' CD1' HG23 ' B' ' 85' ' ' ILE . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.522 ' CD1' HD23 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.688 HD23 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.586 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.722 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.405 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.638 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.594 ' CE1' HD11 ' A' ' 64' ' ' LEU . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.722 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.406 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.562 ' CG2' ' HB3' ' A' ' 52' ' ' PHE . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.425 ' HG2' ' CG2' ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.467 ' CD1' ' O ' ' B' ' 113' ' ' SER . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.49 HG21 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.468 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.657 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' B' ' 127' ' ' ALA . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.53 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.657 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.1 m170 -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.474 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 172.44 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.53 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -121.74 -46.27 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.3 t -175.03 -72.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 172.46 176.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.64 90.04 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.66 35.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.11 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.97 153.36 31.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -140.61 104.93 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t 51.6 69.13 2.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -174.9 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 44' ' ' LEU . 70.2 m-20 -157.46 128.65 3.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -161.82 49.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 41' ' ' ASP . 1.4 tm? -74.37 -60.65 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.448 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.712 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' CE2' ' CG1' ' B' ' 121' ' ' VAL . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.471 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' CB ' HD11 ' B' ' 97' ' ' ILE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.636 ' O ' ' CB ' ' A' ' 68' ' ' ARG . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.4 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.572 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.636 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.547 ' SG ' ' CZ ' ' A' ' 49' ' ' PHE . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.454 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.665 ' CZ3' HD21 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.542 ' CD1' HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.534 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.442 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.447 ' HG2' ' CG ' ' B' ' 77' ' ' PRO . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.512 ' CG2' ' CD1' ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.604 ' O ' ' CG2' ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 85' ' ' ILE . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.583 ' HB3' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.604 ' CG2' ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.588 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.558 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.577 ' CD ' ' CZ ' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.572 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.681 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.47 HG21 ' N ' ' A' ' 97' ' ' ILE . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.592 HG13 ' N ' ' A' ' 98' ' ' LEU . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.592 ' N ' HG13 ' A' ' 97' ' ' ILE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' HD13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.516 ' HB3' ' CD1' ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.462 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.446 ' HA ' ' CG1' ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.689 HH21 HG22 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.689 HG22 HH21 ' A' ' 105' ' ' ARG . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.479 ' CG2' ' CD1' ' A' ' 98' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.448 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.516 ' CD1' ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.62 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.458 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.62 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 18.9 m170 -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.415 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.458 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . -56.82 157.85 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' ' 127' ' ' ALA . 0.2 OUTLIER 174.66 57.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.66 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -154.04 111.15 2.49 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 121.36 6.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.596 1.84 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.7 110.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -168.72 117.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -172.51 130.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.51 169.79 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 108.337 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 176.01 10.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.411 ' CB ' ' CD ' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -167.11 173.86 2.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.413 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -74.96 -15.92 20.59 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.788 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -174.6 63.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' B' ' 45' ' ' CYS . 0.0 OUTLIER -78.82 -50.47 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.575 ' N ' ' CD1' ' B' ' 44' ' ' LEU . 46.7 m -52.27 -27.21 14.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.375 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.524 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 30.8 ttp180 -79.99 -52.96 7.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -11.16 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.692 ' CE1' ' CB ' ' B' ' 56' ' ' GLU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.455 ' O ' ' O ' ' B' ' 52' ' ' PHE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.43 ' CE2' ' CE1' ' A' ' 125' ' ' HIS . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.442 ' C ' HG22 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.444 ' CB ' HD13 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.566 HD11 ' CE1' ' A' ' 94' ' ' PHE . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.411 ' HG2' ' CE1' ' B' ' 52' ' ' PHE . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' B' ' 70' ' ' LEU . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.57 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.526 ' O ' ' C ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.447 ' CG ' ' HG2' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.543 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.518 ' N ' ' CD1' ' B' ' 79' ' ' LEU . 4.7 m170 -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . . . . . . . . . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.534 ' CG ' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.434 ' O ' ' HG3' ' B' ' 87' ' ' GLU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HB2' ' B' ' 88' ' ' LEU . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.618 ' O ' HD12 ' B' ' 89' ' ' LEU . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.502 ' HB2' ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.665 HD21 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.632 HG21 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.528 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.473 ' HA ' HD21 ' B' ' 95' ' ' LEU . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.712 ' HG3' ' CE2' ' A' ' 49' ' ' PHE . 12.0 mm100 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.708 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.669 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.587 HG13 ' N ' ' B' ' 98' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.656 HD11 ' CE2' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.412 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.485 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.456 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.523 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.523 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.422 ' CG2' ' CD1' ' B' ' 98' ' ' LEU . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.708 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.513 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.6 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.499 ' HA ' ' CB ' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.485 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 11.3 m170 -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.19 67.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.499 ' CB ' ' HA ' ' B' ' 123' ' ' ASP . . . -159.47 167.32 28.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t -148.89 76.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -148.67 140.59 23.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.62 89.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.391 1.057 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.54 23.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' B' ' 132' ' ' LYS . 9.8 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 104.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 0.823 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -151.08 138.16 19.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -177.71 102.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.31 168.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.56 5.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.18 155.69 0.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.45 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -47.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.41 -49.38 42.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.567 ' CB ' ' CG2' ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.432 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 66' ' ' GLN . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' CA ' HG21 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.647 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.431 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.478 ' CA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD12 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.474 ' N ' HD23 ' A' ' 64' ' ' LEU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.468 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.44 HD12 ' SG ' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 64' ' ' LEU . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.565 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.46 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.569 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.509 ' CD1' HG23 ' B' ' 85' ' ' ILE . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.462 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.6 m170 -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.452 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.548 ' CG2' ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.682 ' O ' HG23 ' A' ' 90' ' ' VAL . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.48 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.602 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.505 ' O ' HD13 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.602 ' HG2' ' CE1' ' B' ' 49' ' ' PHE . 7.9 tp-100 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.809 ' CD1' HD12 ' B' ' 64' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.659 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 97' ' ' ILE . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.647 HG13 ' N ' ' A' ' 98' ' ' LEU . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.696 ' CD1' ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.4 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.522 ' CG2' HD13 ' A' ' 98' ' ' LEU . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.447 ' N ' ' CD1' ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.491 ' CG1' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.491 HD21 ' CG1' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' HE1' ' A' ' 91' ' ' MET . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.725 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.526 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.526 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -164.42 147.24 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 86.85 2.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -101.22 -168.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -135.09 70.18 69.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 45.8 m -155.31 110.13 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -47.36 113.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -122.66 -55.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.67 96.96 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.337 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.14 2.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.39 136.98 23.09 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.6 11.77 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.522 ' CG ' HH21 ' B' ' 46' ' ' ARG . 0.5 OUTLIER -79.09 -34.18 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.03 -55.39 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.412 ' O ' ' HB3' ' B' ' 49' ' ' PHE . 1.8 t -53.62 -24.87 15.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.576 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 1.7 tmm_? -76.47 -56.67 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.434 ' N ' ' HD2' ' B' ' 46' ' ' ARG . 0.7 OUTLIER -61.36 -12.4 13.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.605 ' CE2' ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.683 ' CD2' HD21 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.527 ' O ' ' CB ' ' B' ' 58' ' ' SER . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.474 ' HB3' ' HB ' ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.592 ' O ' ' HG ' ' B' ' 67' ' ' LEU . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.809 HD12 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.443 ' HB2' ' CG1' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.683 HD21 ' CD2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.441 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.441 ' N ' ' HG3' ' B' ' 69' ' ' GLN . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.54 ' HB2' ' CG2' ' A' ' 90' ' ' VAL . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.463 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.605 ' CZ3' ' CE2' ' B' ' 49' ' ' PHE . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.523 ' O ' ' O ' ' B' ' 76' ' ' GLN . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.458 ' CG ' ' O ' ' B' ' 77' ' ' PRO . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.4 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.415 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.511 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.548 ' CG2' ' CG2' ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.63 ' O ' HG21 ' B' ' 90' ' ' VAL . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.43 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.461 ' CD2' HD22 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.57 ' CD1' ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.63 HG21 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.512 ' O ' HD12 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' B' ' 91' ' ' MET . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.785 ' CD1' HD12 ' A' ' 64' ' ' LEU . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.649 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.567 ' CG2' ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.52 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.508 ' O ' ' HB3' ' B' ' 112' ' ' MET . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.508 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.434 HG13 ' CE ' ' B' ' 112' ' ' MET . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.498 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.505 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.505 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.482 ' HA ' ' CD2' ' B' ' 125' ' ' HIS . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.542 ' O ' ' CA ' ' B' ' 127' ' ' ALA . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.429 ' CE1' ' NZ ' ' B' ' 132' ' ' LYS . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.565 ' HB2' ' CD2' ' B' ' 125' ' ' HIS . 0.1 OUTLIER -160.17 56.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.542 ' CA ' ' O ' ' B' ' 123' ' ' ASP . . . -45.76 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 70.53 -60.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -73.15 -79.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.83 139.77 73.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 143.71 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . 0.429 ' NZ ' ' CE1' ' B' ' 124' ' ' PHE . 14.3 tmtt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.67 77.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 103.71 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 11.9 p30 177.48 179.92 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 165.93 -55.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.435 1.756 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.99 142.35 43.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.54 3.98 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG2' ' CB ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 170.33 38.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -72.29 -50.3 28.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.451 ' CB ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.651 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.552 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.467 ' CE1' ' HB1' ' A' ' 63' ' ' ALA . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.542 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.446 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.402 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.542 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.486 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.616 HD12 ' CE1' ' B' ' 94' ' ' PHE . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.552 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.623 HD21 ' CD2' ' A' ' 49' ' ' PHE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.598 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.548 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.71 ' CE3' ' CD2' ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.541 ' CD1' ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.444 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.501 ' O ' ' C ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.501 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.557 ' OG1' ' CG ' ' B' ' 80' ' ' HIS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 85' ' ' ILE . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' OE1' ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.598 ' CG2' ' CD1' ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.502 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.677 ' CD2' ' CE3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.681 HG23 ' HA ' ' B' ' 68' ' ' ARG . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.611 ' O ' HD11 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' HA ' HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.619 ' OE1' ' CD1' ' B' ' 49' ' ' PHE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.642 ' CE1' HD12 ' B' ' 64' ' ' LEU . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD11 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 HG21 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.585 HD12 ' CE2' ' B' ' 52' ' ' PHE . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.493 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.504 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.42 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.421 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.44 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.507 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' OE1' ' CD ' ' A' ' 131' ' ' PRO . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.492 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.493 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.1 m170 -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -47.39 178.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -121.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -151.99 101.51 2.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' CD ' ' OE1' ' A' ' 122' ' ' GLU . 18.0 Cg_endo -75.1 161.66 38.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.788 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' B' ' 36' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' B' ' 35' ' ' GLY . 0.5 OUTLIER 163.74 166.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 110.041 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 65.42 49.07 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 174.73 57.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.1 m 42.8 68.91 2.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.63 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.425 ' N ' ' HD3' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -153.7 63.54 4.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -75.1 -33.3 4.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 1.2 tt0 81.07 2.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.26 -52.4 14.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . 0.424 ' HA ' ' OG ' ' B' ' 48' ' ' SER . 22.4 m -66.6 -32.15 73.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.457 ' CG ' ' HB2' ' B' ' 51' ' ' ARG . 20.4 ttm180 -66.63 -39.23 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.08 -57.6 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.424 ' OG ' ' HA ' ' B' ' 45' ' ' CYS . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.586 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.432 ' C ' HG23 ' A' ' 118' ' ' VAL . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.473 ' HB3' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.642 HD12 ' CE1' ' A' ' 94' ' ' PHE . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' B' ' 70' ' ' LEU . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.681 ' HA ' HG23 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.612 ' HB3' ' CD1' ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.416 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.598 ' CD1' ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.539 ' N ' ' O ' ' B' ' 79' ' ' LEU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.456 ' O ' HD11 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.541 ' CG2' ' CD1' ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.527 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.52 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.71 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.589 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.586 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.475 ' HA ' HD23 ' B' ' 95' ' ' LEU . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.651 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.681 ' CZ ' ' CG2' ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.462 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.545 HG13 ' N ' ' B' ' 98' ' ' LEU . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.679 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.547 ' HD2' ' CD1' ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.565 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . 0.469 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.476 ' CG2' ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . 0.456 ' CD1' ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.476 ' SD ' ' CG2' ' B' ' 106' ' ' VAL . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' SER . . . . . 0.486 ' HA ' ' CD1' ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.402 ' O ' ' HB ' ' B' ' 119' ' ' THR . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.484 ' CB ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.493 ' CG2' HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.681 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.495 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.596 HG13 ' CE1' ' B' ' 125' ' ' HIS . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' B' ' 127' ' ' ALA . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . 0.448 ' O ' ' HA ' ' B' ' 127' ' ' ALA . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CE1' HG13 ' B' ' 121' ' ' VAL . 20.8 m170 -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.439 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 176.19 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 123' ' ' ASP . . . 39.19 -144.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 t 76.83 55.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -93.39 139.14 31.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.84 147.03 38.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.0 167.43 22.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 56.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.26 119.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 109.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.59 39.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -121.54 166.01 17.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.27 10.97 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -89.73 10.37 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB3' ' O ' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -76.02 -45.67 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.656 ' CE2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.59 ' CE1' ' HB3' ' A' ' 66' ' ' GLN . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.519 ' CZ ' HG11 ' B' ' 121' ' ' VAL . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.576 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.492 ' HB ' ' CB ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.401 ' C ' HG22 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' CB ' ' HB ' ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.655 ' CD1' ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.59 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD22 ' CE2' ' A' ' 49' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.598 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.513 ' HB2' ' CD2' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.691 ' CZ3' HD21 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.669 ' CD2' ' CD1' ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.651 ' C ' ' O ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.446 ' O ' ' CD1' ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.612 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.628 ' HA ' ' CD1' ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.669 ' CD1' ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.628 ' CD1' ' HA ' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.556 ' O ' HD12 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.451 ' HA ' HD23 ' A' ' 95' ' ' LEU . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.572 ' HG2' ' CZ ' ' B' ' 49' ' ' PHE . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.762 ' CZ ' ' CG2' ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.659 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.665 HG22 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.666 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.404 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.524 ' CG2' HD13 ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.563 ' CD2' ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.454 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.43 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.552 HG13 ' CE ' ' A' ' 112' ' ' MET . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.762 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.516 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.64 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.0 m170 -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . 35.49 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.4 m -86.31 56.63 4.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -120.88 40.39 3.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.37 96.07 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 117.44 4.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.408 1.067 . . . . 0.0 109.22 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -136.68 56.04 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -146.71 127.17 14.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -160.69 -45.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -47.45 113.29 2.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.628 1.205 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 162.69 36.78 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -140.62 145.38 40.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.412 ' CB ' ' HD2' ' B' ' 46' ' ' ARG . 6.9 pm0 -141.62 45.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.48 -59.33 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 31.6 p -51.47 -29.83 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 108.309 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.558 ' HD3' ' CD1' ' B' ' 74' ' ' TRP . 36.0 mtt180 -77.98 -49.01 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -65.93 -11.44 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.587 ' CE2' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.55 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.665 ' CD2' HG22 ' A' ' 97' ' ' ILE . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.567 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.553 HG23 ' C ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.515 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.653 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.553 ' C ' HG23 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.724 HD13 ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.545 ' N ' HD21 ' B' ' 64' ' ' LEU . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.587 HD21 ' CE2' ' B' ' 49' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.466 ' HB3' ' CD2' ' B' ' 49' ' ' PHE . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.575 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.616 ' CZ3' HD21 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.69 ' CD2' ' CD1' ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.531 ' CD2' ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.455 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.51 ' OG1' ' ND1' ' A' ' 80' ' ' HIS . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.504 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.448 ' O ' HD23 ' B' ' 88' ' ' LEU . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.508 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.529 ' O ' HD13 ' B' ' 89' ' ' LEU . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.69 ' CD1' ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.691 HD21 ' CZ3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.598 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.616 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.655 ' CE1' ' CD1' ' A' ' 64' ' ' LEU . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.445 HG21 ' O ' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.484 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.436 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.617 ' CG2' ' CG2' ' B' ' 121' ' ' VAL . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.438 ' N ' HD11 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' B' ' 108' ' ' HIS . 2.5 t-160 -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.403 HG21 ' CE2' ' B' ' 94' ' ' PHE . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.491 HG21 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.529 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.624 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.41 ' CD2' ' N ' ' B' ' 125' ' ' HIS . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 0.5 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 -108.95 -62.76 1.43 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 58.53 158.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.57 42.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.57 168.46 12.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 147.07 17.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.0 p -165.54 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.14 128.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 175.1 162.7 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.222 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.56 110.69 2.54 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.71 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -156.94 71.62 4.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -178.1 3.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.08 -2.49 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -75.28 -55.63 5.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.571 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.445 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.759 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' CD1' ' C ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HB3' ' CG2' ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.498 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.465 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.516 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' C ' HG21 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.57 ' O ' ' SG ' ' A' ' 53' ' ' CYS . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.756 HD11 ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.512 ' N ' HD22 ' A' ' 64' ' ' LEU . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' A' ' 49' ' ' PHE . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.557 ' CB ' HG21 ' B' ' 90' ' ' VAL . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.484 ' CG ' HD22 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.665 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.563 ' O ' ' C ' ' A' ' 76' ' ' GLN . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.442 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.587 ' N ' ' CD2' ' A' ' 80' ' ' HIS . 0.2 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.496 ' CG2' ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.558 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.496 ' HB2' ' CG2' ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.566 HG12 HG13 ' B' ' 85' ' ' ILE . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.583 ' O ' HG22 ' A' ' 90' ' ' VAL . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.581 ' HG ' ' HG ' ' A' ' 89' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE3' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.583 HG22 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.567 ' O ' HD11 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.463 ' HA ' HD22 ' A' ' 95' ' ' LEU . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.484 ' HA ' HG23 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.603 ' CE1' HD13 ' B' ' 64' ' ' LEU . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.516 HG21 ' N ' ' A' ' 97' ' ' ILE . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.516 ' N ' HG21 ' A' ' 96' ' ' THR . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.611 ' CD2' ' CE1' ' B' ' 54' ' ' TYR . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.438 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.484 ' CG2' ' CG2' ' A' ' 121' ' ' VAL . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.428 ' CD2' ' H ' ' A' ' 109' ' ' ARG . 14.9 t60 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.428 ' H ' ' CD2' ' A' ' 108' ' ' HIS . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.465 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.465 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.483 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.518 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.638 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.473 ' HA ' ' CB ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.0 m170 -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.407 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 123' ' ' ASP . . . -53.99 131.04 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.57 33.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.15 -163.45 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.32 70.03 12.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.49 37.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 62.68 165.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.73 162.01 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -174.82 157.44 2.45 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 m -122.76 118.16 28.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 117.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.49 162.83 37.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.707 ' HB2' HH21 ' B' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.0 -25.28 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.465 ' O ' ' CB ' ' B' ' 48' ' ' SER . 1.7 tm? -75.67 -51.85 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.82 -23.36 66.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.707 HH21 ' HB2' ' B' ' 42' ' ' PRO . 6.2 mtm180 -73.73 -65.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.91 -11.04 44.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.611 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.416 ' N ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.48 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.428 ' HB2' ' CD1' ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.603 HD13 ' CE1' ' A' ' 94' ' ' PHE . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.48 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.413 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.542 ' O ' ' HB3' ' B' ' 74' ' ' TRP . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.407 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.628 ' CE3' HD21 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.535 ' CD1' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.628 ' O ' ' CD2' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.442 ' CD2' ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.726 ' H ' ' CD2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.615 ' O ' ' N ' ' B' ' 83' ' ' GLU . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.581 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.479 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.566 HG13 HG12 ' A' ' 85' ' ' ILE . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.606 ' O ' HG21 ' B' ' 90' ' ' VAL . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.665 HD22 ' CE3' ' A' ' 74' ' ' TRP . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.606 HG21 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.522 ' O ' HD12 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.759 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.756 ' CD1' HD11 ' A' ' 64' ' ' LEU . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.678 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.508 ' CG2' ' O ' ' A' ' 50' ' ' ARG . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.686 ' CG2' ' HB3' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.425 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.504 ' CD1' ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.504 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' B' ' 108' ' ' HIS . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' B' ' 103' ' ' GLN . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' B' ' 104' ' ' ALA . 38.3 m-70 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.452 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' SER . . . . . 0.452 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . 0.401 HD12 ' O ' ' B' ' 113' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.516 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.487 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.5 m170 -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.75 -55.83 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 43.67 -154.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t 72.87 40.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.927 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.37 106.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -163.43 90.58 1.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 158.6 42.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.76 110.43 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -153.55 123.76 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.28 116.76 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -54.62 -54.63 46.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.94 140.03 25.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER 164.04 -52.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' ASP . 18.5 Cg_endo -74.99 55.0 3.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 171.3 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.49 -50.9 16.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.465 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.627 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.627 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.531 ' CA ' HG22 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 65' ' ' SER . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.491 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.638 HD11 ' CE1' ' B' ' 94' ' ' PHE . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.566 HD22 ' CE1' ' A' ' 49' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.601 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.467 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.604 ' HB3' ' CD1' ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' A' ' 76' ' ' GLN . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.657 ' CE3' ' CD2' ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.549 ' HB2' ' HE2' ' A' ' 80' ' ' HIS . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.516 ' O ' ' CD2' ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.516 ' CD2' ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.702 ' CD2' ' HG3' ' A' ' 77' ' ' PRO . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' ' ND1' ' B' ' 80' ' ' HIS . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.487 ' N ' ' O ' ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' B' ' 85' ' ' ILE . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 90' ' ' VAL . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.494 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.724 HD22 ' CZ3' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.57 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . 0.607 ' O ' HD13 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' MET . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.621 ' HG3' ' CD2' ' B' ' 49' ' ' PHE . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PHE . . . . . 0.638 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.67 ' CD1' ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.55 ' CD1' ' CB ' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.638 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.518 ' CD1' ' O ' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.413 HG22 ' CD1' ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 15.8 t-160 -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.45 ' CD1' HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.523 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.448 ' CB ' ' HE3' ' A' ' 91' ' ' MET . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.45 HG13 ' CD1' ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.515 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.621 HG11 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.457 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.621 ' CE1' HG11 ' A' ' 121' ' ' VAL . 8.9 m170 -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 32.15 -102.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 13.3 t 40.29 67.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.091 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.7 OUTLIER 163.61 -168.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 129' ' ' LYS . 7.7 tttp 160.7 -50.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 130' ' ' LYS . 18.1 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.34 138.78 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -119.65 155.1 32.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -157.16 138.02 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -125.28 92.8 46.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.27 40.27 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . 0.504 ' CB ' ' HD3' ' B' ' 42' ' ' PRO . 0.4 OUTLIER -69.89 -52.75 12.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' PRO . . . . . 0.504 ' HD3' ' CB ' ' B' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 108.55 2.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.576 1.829 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER 166.8 69.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.92 -58.85 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -39.16 74.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' B' ' 50' ' ' ARG . 14.2 mtm180 -60.52 -38.2 83.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' B' ' 43' ' ' GLU . 9.2 tp60 -74.31 -45.95 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.59 ' CD1' HG12 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' B' ' 52' ' ' PHE . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.59 HG12 ' CD1' ' B' ' 54' ' ' TYR . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' GLN . . . . . 0.469 ' HA ' ' CG2' ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLU . . . . . 0.459 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ALA . . . . . 0.55 ' CB ' ' CD1' ' A' ' 97' ' ' ILE . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 94' ' ' PHE . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.444 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.592 HD22 ' CD2' ' B' ' 49' ' ' PHE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ARG . . . . . 0.636 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.401 ' O ' ' HB2' ' B' ' 73' ' ' GLN . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' CYS . . . . . 0.554 ' SG ' ' CG2' ' A' ' 90' ' ' VAL . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.48 ' HB2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' TRP . . . . . 0.724 ' CZ3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.564 HD21 ' CD1' ' B' ' 88' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' LYS . . . . . 0.463 ' C ' ' O ' ' B' ' 81' ' ' THR . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.483 ' HG3' ' CB ' ' B' ' 77' ' ' PRO . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' ILE . . . . . 0.597 HG21 ' CE1' ' A' ' 80' ' ' HIS . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . 0.513 ' HA ' ' CD1' ' B' ' 89' ' ' LEU . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.564 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . 0.657 ' CD2' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' ' 68' ' ' ARG . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' MET . . . . . 0.587 ' O ' HD13 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' B' ' 91' ' ' MET . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' GLN . . . . . 0.635 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' PHE . . . . . 0.676 ' O ' ' HG ' ' B' ' 98' ' ' LEU . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' LEU . . . . . 0.621 ' CD1' ' N ' ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' THR . . . . . 0.481 HG23 ' HA ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ILE . . . . . 0.594 HG13 ' N ' ' B' ' 98' ' ' LEU . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ILE . . . . . 0.557 ' CD1' ' O ' ' B' ' 99' ' ' PRO . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' GLN . . . . . 0.429 ' N ' ' CD1' ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' VAL . . . . . 0.407 ' CG1' ' N ' ' B' ' 107' ' ' ARG . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ARG . . . . . 0.419 ' CD ' ' C ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' MET . . . . . 0.503 ' HE2' ' CB ' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' GLU . . . . . 0.503 ' CB ' ' HE2' ' B' ' 112' ' ' MET . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' VAL . . . . . 0.531 HG22 ' CA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' B' ' 115' ' ' LYS . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' VAL . . . . . 0.624 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -59.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.59 -160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t 71.65 27.55 2.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.25 123.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.9 92.0 3.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 144.54 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.601 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' B' ' 97' ' ' ILE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.839 ' H ' HG22 ' B' ' 97' ' ' ILE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE1' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG21 ' C ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.714 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.74 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.881 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.639 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.024 HD23 ' HG ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 1.008 ' N ' HD13 ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.808 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.808 ' H ' HG23 ' A' ' 81' ' ' THR . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CD1' ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 75' ' ' LEU . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.024 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.65 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.132 ' CZ ' HD11 ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.948 HD11 ' HB1' ' B' ' 63' ' ' ALA . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.986 HD22 HG11 ' A' ' 121' ' ' VAL . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG22 ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.596 ' HA ' HG12 ' A' ' 106' ' ' VAL . 2.4 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.8 ' CG2' HD13 ' A' ' 111' ' ' LEU . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.986 HG11 HD22 ' A' ' 98' ' ' LEU . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.873 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.715 ' CD2' ' CE2' ' B' ' 54' ' ' TYR . 0.1 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.715 ' CE2' ' CD2' ' A' ' 125' ' ' HIS . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.594 HG23 ' CB ' ' B' ' 62' ' ' GLU . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.594 ' CB ' HG23 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.948 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 1.132 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 93' ' ' GLN . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' B' ' 49' ' ' PHE . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.853 ' HB3' HD13 ' A' ' 89' ' ' LEU . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 1.5 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.492 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.602 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.583 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.602 ' H ' HG23 ' B' ' 81' ' ' THR . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.42 ' O ' HD22 ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.683 ' O ' HG23 ' B' ' 90' ' ' VAL . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 1.032 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.968 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.68 ' CE ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 91' ' ' MET . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.078 ' CE1' HD11 ' B' ' 98' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 93' ' ' GLN . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.839 HG22 ' H ' ' A' ' 53' ' ' CYS . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.078 HD11 ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.905 ' HA ' HD21 ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.764 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.563 ' CB ' HD13 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 102' ' ' ILE . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.629 ' N ' HG23 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 1.4 t-80 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.698 HD23 ' HB2' ' B' ' 103' ' ' GLN . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' B' ' 102' ' ' ILE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.943 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 119' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.753 HG12 ' CE1' ' B' ' 125' ' ' HIS . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.753 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.3 OUTLIER -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 20.3 ttt180 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.855 ' HB2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.762 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.597 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 63' ' ' ALA . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.574 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.812 ' O ' HG11 ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.671 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.928 HD13 ' HG3' ' B' ' 93' ' ' GLN . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.741 ' HB2' HD13 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.762 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.762 ' H ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.944 HG22 HD13 ' B' ' 75' ' ' LEU . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.647 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.74 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 tp-100 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 118' ' ' VAL . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.995 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.78 HD12 ' CE2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 121' ' ' VAL . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 102' ' ' ILE . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.578 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.564 ' HE2' ' C ' ' A' ' 110' ' ' CYS . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' SER . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.984 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.853 ' N ' HD13 ' A' ' 120' ' ' LEU . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.789 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.476 HE22 ' CD ' ' B' ' 103' ' ' GLN . 1.7 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.604 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.78 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.519 HG21 ' C ' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.434 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.937 ' O ' HD12 ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.519 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.653 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.937 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 70' ' ' LEU . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' B' ' 52' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.526 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 66' ' ' GLN . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 89' ' ' LEU . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.944 HD13 HG22 ' A' ' 85' ' ' ILE . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.724 ' C ' HD22 ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.799 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.757 ' O ' HD13 ' B' ' 86' ' ' LEU . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.799 ' H ' HG23 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 88' ' ' LEU . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.938 HG12 HG21 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 90' ' ' VAL . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.609 HD22 ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 86' ' ' LEU . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.916 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.604 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.928 ' HG3' HD13 ' A' ' 67' ' ' LEU . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.232 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.916 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.565 HG22 ' O ' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.79 HD11 ' CE1' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.715 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.715 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' B' ' 103' ' ' GLN . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.448 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.4 ' HG2' HG23 ' B' ' 106' ' ' VAL . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.505 ' O ' HD12 ' B' ' 117' ' ' ILE . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.673 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 1.232 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.562 HG21 HD13 ' B' ' 98' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.479 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.2 m-70 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.705 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.705 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' O ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.061 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 m-70 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 83' ' ' GLU . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.812 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.571 ' H ' HG23 ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.649 ' CD ' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.641 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.921 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.782 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' LEU . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.82 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.521 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.735 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.052 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.915 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' HD12 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.801 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.801 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.979 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 106' ' ' VAL . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 106' ' ' VAL . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.724 ' HA ' HD23 ' A' ' 120' ' ' LEU . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 1.052 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.979 HD22 ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.846 HG21 HD13 ' A' ' 98' ' ' LEU . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.846 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.425 ' H ' HG22 ' A' ' 97' ' ' ILE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' B' ' 66' ' ' GLN . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.576 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.549 ' O ' HG11 ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' HD13 ' B' ' 64' ' ' LEU . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.781 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.612 ' HG3' HG12 ' B' ' 57' ' ' VAL . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 93' ' ' GLN . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.843 ' HB3' HD13 ' A' ' 89' ' ' LEU . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.624 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.692 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.665 ' H ' HG23 ' B' ' 81' ' ' THR . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.841 HG22 HD13 ' A' ' 75' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' B' ' 89' ' ' LEU . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.55 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LEU . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.471 ' O ' HD13 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.452 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.683 ' O ' HG22 ' B' ' 96' ' ' THR . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.791 ' CE1' HG23 ' B' ' 118' ' ' VAL . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.73 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.848 HD13 HG21 ' B' ' 121' ' ' VAL . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.63 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.505 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' B' ' 111' ' ' LEU . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.591 ' HA ' HD13 ' B' ' 117' ' ' ILE . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.672 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.791 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.866 HG13 ' CE1' ' B' ' 125' ' ' HIS . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.866 ' CE1' HG13 ' B' ' 121' ' ' VAL . 0.5 OUTLIER -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.692 ' HD2' HG21 ' B' ' 97' ' ' ILE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.874 ' HB3' HD13 ' B' ' 89' ' ' LEU . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NE ' HD23 ' B' ' 86' ' ' LEU . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.673 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.016 HD11 HD21 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.503 ' N ' ' ND1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.703 ' C ' HD12 ' A' ' 85' ' ' ILE . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.853 ' O ' HD22 ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.869 HG12 HD13 ' A' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.057 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 1.122 HG22 ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.748 ' HG3' HD11 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.797 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.941 ' CE1' HG23 ' A' ' 118' ' ' VAL . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.84 HD11 ' HB1' ' B' ' 63' ' ' ALA . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.847 ' HA ' HD21 ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HD3' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 102' ' ' ILE . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.941 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.847 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.661 HG13 ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.661 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.413 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.717 ' HD1' HD12 ' A' ' 97' ' ' ILE . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.765 HG23 ' O ' ' B' ' 59' ' ' GLY . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.812 ' O ' HD12 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.578 ' C ' HG21 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.84 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.812 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 93' ' ' GLN . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 1.122 ' HA ' HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' B' ' 49' ' ' PHE . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.721 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.057 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.597 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.836 ' H ' HG23 ' B' ' 81' ' ' THR . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.785 HG22 ' CD1' ' A' ' 75' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.569 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' NE2' ' B' ' 93' ' ' GLN . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.888 ' O ' HG22 ' B' ' 96' ' ' THR . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.788 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.888 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' B' ' 102' ' ' ILE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.401 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' B' ' 120' ' ' LEU . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.642 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.62 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' ARG . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.455 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.692 HG23 ' HG ' ' B' ' 111' ' ' LEU . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.543 ' N ' HG13 ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.947 HD13 HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' HD12 ' B' ' 117' ' ' ILE . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.947 HG12 HD13 ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 119' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.696 HG22 ' CE1' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.696 ' CE1' HG22 ' B' ' 121' ' ' VAL . 0.7 OUTLIER -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 1.102 ' CG ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.75 ' CE2' HD13 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.499 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CG ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.856 HD23 HG12 ' B' ' 90' ' ' VAL . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 HG21 ' B' ' 97' ' ' ILE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.102 HD22 ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.684 ' SG ' HD13 ' B' ' 89' ' ' LEU . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.817 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 78' ' ' GLU . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 82' ' ' LYS . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.912 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.47 ' NE2' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.884 HG22 HD13 ' B' ' 75' ' ' LEU . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 82' ' ' LYS . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.074 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 86' ' ' LEU . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.75 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.869 ' O ' HG22 ' A' ' 96' ' ' THR . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.673 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.917 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.79 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 102' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 98' ' ' LEU . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.68 ' HA ' HD13 ' A' ' 117' ' ' ILE . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.673 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.51 ' O ' ' ND1' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.692 ' HA ' ' HE1' ' A' ' 125' ' ' HIS . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.692 ' HE1' ' HA ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.961 ' CD1' HD11 ' B' ' 70' ' ' LEU . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.472 ' HE2' ' CD2' ' A' ' 125' ' ' HIS . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.456 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.79 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' B' ' 68' ' ' ARG . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 97' ' ' ILE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.961 HD11 ' CD1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.074 ' CD1' HD21 ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.963 ' HB3' HG22 ' B' ' 81' ' ' THR . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.963 HG22 ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.809 ' HB2' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.735 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.856 HG12 HD23 ' A' ' 64' ' ' LEU . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.557 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.975 ' O ' HG22 ' B' ' 96' ' ' THR . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.098 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.699 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.975 HG22 ' O ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.75 HD13 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.098 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.795 ' HG3' HD11 ' B' ' 120' ' ' LEU . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.765 HG22 HD21 ' B' ' 120' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.762 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 102' ' ' ILE . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.414 ' HE3' ' HB2' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.679 HD12 ' H ' ' B' ' 117' ' ' ILE . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.846 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.795 HD11 ' HG3' ' B' ' 101' ' ' GLU . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 1.065 HG21 HD13 ' B' ' 98' ' ' LEU . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.6 m-70 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.678 ' HG2' HD21 ' A' ' 67' ' ' LEU . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.603 HG21 ' C ' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.603 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.638 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.678 HD21 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.718 ' HA ' HG21 ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.928 ' HB3' HD13 ' B' ' 89' ' ' LEU . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.972 ' CZ2' HD11 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.983 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' N ' HD12 ' A' ' 79' ' ' LEU . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.792 ' H ' HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.953 ' CG1' HG21 ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' MET . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.972 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.046 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.663 ' HG3' HD21 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.513 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.966 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 118' ' ' VAL . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 93' ' ' GLN . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' CD2' ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.664 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.687 ' SD ' HG13 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.81 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.947 ' CD2' HG23 ' A' ' 106' ' ' VAL . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 117' ' ' ILE . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.59 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.571 HG21 ' HA ' ' B' ' 63' ' ' ALA . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.54 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.68 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' B' ' 49' ' ' PHE . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.51 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' B' ' 49' ' ' PHE . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.856 ' HB3' HD13 ' A' ' 89' ' ' LEU . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.759 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.552 ' N ' HD12 ' B' ' 79' ' ' LEU . 1.3 m-70 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 83' ' ' GLU . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.821 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.813 ' H ' HG23 ' B' ' 81' ' ' THR . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.953 HG21 ' CG1' ' A' ' 85' ' ' ILE . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.887 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.939 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.887 HG23 ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.677 ' HB3' HD21 ' A' ' 67' ' ' LEU . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.796 ' CE1' HG23 ' B' ' 118' ' ' VAL . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.638 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.538 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.816 HD13 ' HB3' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.64 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' B' ' 120' ' ' LEU . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 1.0 OUTLIER 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.492 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.783 HG12 ' CE1' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.783 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.3 OUTLIER -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.628 ' H ' HG22 ' B' ' 97' ' ' ILE . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HD1' HD12 ' B' ' 97' ' ' ILE . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.711 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.808 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.668 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.536 ' H ' HD22 ' A' ' 64' ' ' LEU . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' B' ' 93' ' ' GLN . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.976 ' HB3' HD13 ' B' ' 89' ' ' LEU . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.676 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.105 HD11 HD21 ' B' ' 89' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.594 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.732 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.732 ' H ' HG23 ' A' ' 81' ' ' THR . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.738 ' CG2' HG21 ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.973 HD11 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.87 HG12 HD23 ' B' ' 64' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.888 ' O ' HD22 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.99 ' CE1' HG23 ' A' ' 118' ' ' VAL . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.823 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 121' ' ' VAL . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.851 ' CB ' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.551 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 117' ' ' ILE . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 103' ' ' GLN . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.504 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.639 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.99 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.998 HG21 HD13 ' A' ' 98' ' ' LEU . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.487 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.615 ' CD2' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.591 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.87 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 93' ' ' GLN . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.734 ' HB3' HD13 ' A' ' 89' ' ' LEU . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.858 ' CZ2' HD11 ' B' ' 88' ' ' LEU . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.973 HD11 HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.742 HD13 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.647 ' O ' HD13 ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.461 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.738 HG21 ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.834 ' O ' HD12 ' B' ' 89' ' ' LEU . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.858 HD11 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.851 ' O ' HG22 ' B' ' 96' ' ' THR . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.808 HD11 ' HB1' ' A' ' 63' ' ' ALA . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.085 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.837 HG21 HD13 ' B' ' 98' ' ' LEU . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.826 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.457 ' HD2' HD22 ' B' ' 120' ' ' LEU . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.654 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.454 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.789 ' N ' HD13 ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.97 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.689 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.682 HG21 HD13 ' B' ' 98' ' ' LEU . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.718 ' CD2' HD13 ' B' ' 97' ' ' ILE . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' CE2' ' A' ' 54' ' ' TYR . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.56 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.662 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 49' ' ' PHE . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.832 ' HB3' HD13 ' B' ' 89' ' ' LEU . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.697 ' HG2' HD23 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.086 HD12 HD12 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.882 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 68' ' ' ARG . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.788 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' CA ' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.791 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' A' ' 118' ' ' VAL . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.657 HG23 ' HG3' ' B' ' 51' ' ' ARG . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.687 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.689 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.551 ' CB ' HD22 ' A' ' 120' ' ' LEU . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 103' ' ' GLN . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 2.5 t-80 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.575 ' HB3' HD13 ' A' ' 111' ' ' LEU . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.583 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.907 HG21 ' HA ' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.771 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.604 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.791 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.657 ' HG3' HG23 ' A' ' 96' ' ' THR . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 1.253 ' CE1' HD22 ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.633 HG11 ' O ' ' B' ' 62' ' ' GLU . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.907 ' HA ' HG21 ' A' ' 118' ' ' VAL . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.633 ' O ' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.649 ' N ' HD13 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 1.253 HD22 ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.575 ' HA ' HG22 ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.616 HD12 ' HZ ' ' B' ' 52' ' ' PHE . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.784 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.886 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.989 ' O ' HD22 ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.989 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.816 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.914 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.816 ' H ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.805 HG21 HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 1.086 HD12 HD12 ' A' ' 75' ' ' LEU . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 91' ' ' MET . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.817 ' O ' HD22 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.489 ' CA ' HD22 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.798 ' CE1' HG23 ' B' ' 118' ' ' VAL . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.907 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.81 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.81 HG21 ' CD1' ' B' ' 98' ' ' LEU . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.498 ' H ' HD13 ' B' ' 102' ' ' ILE . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 102' ' ' ILE . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.566 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.575 HD22 ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.501 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.527 ' HA ' HD13 ' B' ' 117' ' ' ILE . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.654 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.798 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.597 HG22 ' HE1' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.597 ' HE1' HG22 ' B' ' 121' ' ' VAL . 0.6 OUTLIER -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 44' ' ' LEU . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CB ' HD21 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CA ' HD12 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB3' HG11 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD11 HG21 ' B' ' 97' ' ' ILE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' B' ' 89' ' ' LEU . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.805 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.007 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.689 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.882 HG21 HG12 ' B' ' 85' ' ' ILE . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.967 HD22 HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.051 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.951 ' O ' HG22 ' A' ' 96' ' ' THR . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.157 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 54' ' ' TYR . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.859 HG21 HD13 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.661 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' A' ' 111' ' ' LEU . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 106' ' ' VAL . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' B' ' 60' ' ' PRO . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.712 ' CE1' HG12 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.908 ' CZ ' HG13 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 97' ' ' ILE . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.874 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.582 ' O ' HD22 ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.487 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.77 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.414 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.883 HD22 ' HG2' ' A' ' 93' ' ' GLN . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.803 ' HB3' HD13 ' A' ' 89' ' ' LEU . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.672 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.536 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.92 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.051 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.516 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.516 ' N ' HD12 ' B' ' 79' ' ' LEU . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.654 HG23 ' H ' ' B' ' 83' ' ' GLU . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.675 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.654 ' H ' HG23 ' B' ' 81' ' ' THR . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.882 HG12 HG21 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' B' ' 89' ' ' LEU . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.89 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.007 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 86' ' ' LEU . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.499 ' HG3' HD21 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.86 ' O ' HG22 ' B' ' 96' ' ' THR . 0.1 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.86 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.8 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.899 HD13 HG21 ' B' ' 121' ' ' VAL . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.497 ' N ' HD12 ' B' ' 102' ' ' ILE . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.634 ' O ' HD21 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.683 HG22 HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.683 HD11 HG22 ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.537 ' HA ' HD13 ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.759 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.571 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.899 HG21 HD13 ' B' ' 98' ' ' LEU . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.841 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.6 OUTLIER -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.545 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD13 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.728 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.853 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.728 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.964 HD13 ' HG3' ' B' ' 93' ' ' GLN . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.729 ' HB2' HD13 ' B' ' 89' ' ' LEU . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' B' ' 89' ' ' LEU . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.716 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' B' ' 85' ' ' ILE . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.819 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.655 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' O ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.836 ' CE1' HG23 ' A' ' 118' ' ' VAL . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.767 HD12 ' HD1' ' B' ' 54' ' ' TYR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.907 ' HB ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.624 ' H ' HD13 ' A' ' 102' ' ' ILE . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.665 ' N ' HG13 ' A' ' 106' ' ' VAL . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.55 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 113' ' ' SER . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.836 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.907 HD21 ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.766 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.615 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.767 ' HD1' HD12 ' A' ' 97' ' ' ILE . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.436 ' HA ' HG21 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.525 ' CB ' HG21 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 52' ' ' PHE . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 1.068 ' HB3' HD13 ' A' ' 89' ' ' LEU . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.652 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' B' ' 84' ' ' GLN . 0.2 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.648 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.612 ' O ' HD22 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.648 ' H ' HG23 ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.611 ' HB3' ' CE1' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.954 ' O ' HD12 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.954 HD12 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 68' ' ' ARG . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.931 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 96' ' ' THR . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.964 ' HG3' HD13 ' A' ' 67' ' ' LEU . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.964 ' CE1' HG23 ' B' ' 118' ' ' VAL . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.443 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 93' ' ' GLN . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.704 HD12 ' CG2' ' B' ' 102' ' ' ILE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.651 ' OE1' HG13 ' B' ' 121' ' ' VAL . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.704 ' CG2' HD12 ' B' ' 98' ' ' LEU . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' GLU . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.6 HG13 ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.57 ' N ' HD23 ' B' ' 111' ' ' LEU . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.543 ' HE3' ' HG2' ' B' ' 116' ' ' GLU . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.964 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.872 HG12 ' CE1' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.872 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.8 OUTLIER -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.819 ' HG3' HG21 ' B' ' 96' ' ' THR . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.83 ' HB3' HG21 ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.637 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.641 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.065 HD21 HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.826 ' HB3' HD13 ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.944 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 1.021 ' N ' HD13 ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.709 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG23 ' A' ' 81' ' ' THR . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 88' ' ' LEU . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 82' ' ' LYS . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.695 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.609 ' OE1' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 118' ' ' VAL . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.669 HG22 ' H ' ' B' ' 53' ' ' CYS . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 102' ' ' ILE . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' C ' HG12 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.697 ' HA ' HD13 ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.799 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.61 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.669 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.623 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 89' ' ' LEU . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.018 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.883 ' O ' HD22 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.686 HG23 ' H ' ' B' ' 83' ' ' GLU . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.745 ' O ' HD13 ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.686 ' H ' HG23 ' B' ' 81' ' ' THR . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.483 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.944 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 86' ' ' LEU . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.794 ' O ' HD22 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 93' ' ' GLN . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.791 ' O ' HG22 ' B' ' 96' ' ' THR . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.794 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.819 HG21 ' HG3' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.927 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.806 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.806 ' H ' HD13 ' B' ' 102' ' ' ILE . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' B' ' 111' ' ' LEU . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.625 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.608 ' CE ' HD11 ' B' ' 117' ' ' ILE . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.743 ' HA ' HD12 ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 1.065 HG21 HD21 ' A' ' 64' ' ' LEU . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.778 HG21 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.839 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.492 ' H ' HG22 ' B' ' 97' ' ' ILE . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' A' ' 60' ' ' PRO . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.731 ' C ' HG21 ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 1.036 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.769 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.839 HD22 ' CB ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.961 ' HB3' HD13 ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.572 ' C ' ' CD1' ' A' ' 74' ' ' TRP . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.99 HD11 HD21 ' B' ' 89' ' ' LEU . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.806 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' HG23 ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.961 HG22 HD13 ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.769 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.678 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.774 ' CE1' HG23 ' A' ' 118' ' ' VAL . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.766 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 121' ' ' VAL . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.594 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' C ' ' A' ' 103' ' ' GLN . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 116' ' ' GLU . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 117' ' ' ILE . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.799 ' HB3' HD13 ' A' ' 111' ' ' LEU . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 111' ' ' LEU . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.774 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.841 HG13 ' CE1' ' A' ' 125' ' ' HIS . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.762 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.841 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.746 ' HZ ' HG22 ' B' ' 57' ' ' VAL . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.746 HG22 ' HZ ' ' B' ' 52' ' ' PHE . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.609 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.614 ' C ' HG21 ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.67 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.678 ' HB3' HD13 ' A' ' 89' ' ' LEU . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.837 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.98 HD23 ' HG ' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.542 ' HG3' HD11 ' B' ' 85' ' ' ILE . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.738 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.738 ' H ' HG23 ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.644 HG12 HG21 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.669 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.98 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 86' ' ' LEU . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.883 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 1.008 ' O ' HG22 ' B' ' 96' ' ' THR . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.185 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 96' ' ' THR . . . . . 1.008 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 1.036 HD11 ' HB1' ' A' ' 63' ' ' ALA . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.185 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.84 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.84 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.512 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.422 ' HA ' HD13 ' B' ' 117' ' ' ILE . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.417 ' CG ' ' HE1' ' B' ' 112' ' ' MET . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.646 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.615 HG13 ' CE1' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.615 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.8 tm? . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 1.204 ' CE1' HD11 ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.69 ' HA ' HG22 ' B' ' 97' ' ' ILE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.676 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.801 ' HA ' HD21 ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' C ' HG21 ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 57' ' ' VAL . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.801 HD21 ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.204 HD11 ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.837 ' HB3' HD13 ' B' ' 89' ' ' LEU . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.858 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.102 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.851 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.006 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.934 HD21 HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.893 ' C ' HD22 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.2 tp-100 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.111 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.893 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.111 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 120' ' ' LEU . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.978 ' O ' HG13 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.823 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.637 ' CE ' HD11 ' A' ' 117' ' ' ILE . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.789 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.873 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 1.005 HG21 HD13 ' A' ' 98' ' ' LEU . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.877 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.5 OUTLIER -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.694 ' CE1' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.722 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.81 ' HA ' HD21 ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 93' ' ' GLN . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.728 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.608 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.934 HD21 HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.816 HD21 ' O ' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.743 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 85' ' ' ILE . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.866 ' HA ' HD11 ' B' ' 89' ' ' LEU . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.102 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.468 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.66 ' HA ' HD22 ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 1.001 ' O ' HG22 ' B' ' 96' ' ' THR . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.025 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 96' ' ' THR . . . . . 1.001 HG22 ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.983 HG21 ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.025 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 1.0 ' HB3' HD11 ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.869 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.503 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.769 ' C ' HD22 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.647 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 1.0 HD11 ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.612 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.632 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HA ' HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.67 ' CB ' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.799 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 52' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.664 ' CB ' HD13 ' B' ' 89' ' ' LEU . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.032 HD11 HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.048 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.797 HD12 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.677 HD11 HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.877 HG12 HD23 ' B' ' 64' ' ' LEU . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.741 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.892 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.856 ' CE1' HG23 ' A' ' 118' ' ' VAL . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.973 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' HG3' HD11 ' A' ' 120' ' ' LEU . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.86 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.86 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 102' ' ' ILE . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.657 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HB2' ' HE2' ' A' ' 112' ' ' MET . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.509 HG23 ' HB ' ' A' ' 102' ' ' ILE . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.856 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.592 ' N ' HG12 ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.891 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.426 ' C ' ' HG2' ' B' ' 50' ' ' ARG . 47.0 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.679 ' HZ ' HG13 ' B' ' 57' ' ' VAL . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.632 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.693 ' HD1' HD12 ' A' ' 97' ' ' ILE . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.626 ' HB2' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.679 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.437 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.464 ' C ' HG21 ' B' ' 57' ' ' VAL . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.973 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 90' ' ' VAL . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' B' ' 52' ' ' PHE . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.56 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.963 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.823 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.735 HG23 ' HB2' ' B' ' 83' ' ' GLU . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.514 ' HB2' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.735 ' HB2' HG23 ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 72' ' ' ARG . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.568 HD22 HD22 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 64' ' ' LEU . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.721 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.627 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' B' ' 118' ' ' VAL . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.492 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.799 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.779 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.552 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' B' ' 112' ' ' MET . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.854 ' HG2' HG22 ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.535 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.896 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.68 ' CG1' ' CE1' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.68 ' CE1' ' CG1' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.4 tm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 44' ' ' LEU . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 1.038 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CA ' HD12 ' B' ' 97' ' ' ILE . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HG2' HD13 ' A' ' 64' ' ' LEU . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.54 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.925 HD23 HG12 ' B' ' 90' ' ' VAL . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.038 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' B' ' 89' ' ' LEU . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 86' ' ' LEU . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.669 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.885 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.769 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.73 ' H ' HG23 ' A' ' 81' ' ' THR . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.971 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.855 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.476 ' CA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.934 ' O ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.934 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.951 HD11 ' HB1' ' B' ' 63' ' ' ALA . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.939 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.433 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.758 ' HB3' HD11 ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' HA ' HG12 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 103' ' ' GLN . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.8 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.853 HG13 ' CE1' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.633 ' CA ' ' HB2' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.853 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB2' ' CA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.782 ' CB ' HD21 ' B' ' 67' ' ' LEU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.702 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' A' ' 97' ' ' ILE . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.66 HG21 ' C ' ' B' ' 62' ' ' GLU . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.66 ' C ' HG21 ' B' ' 57' ' ' VAL . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.951 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.909 HD23 HG12 ' A' ' 90' ' ' VAL . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.782 HD21 ' CB ' ' B' ' 52' ' ' PHE . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.976 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CE ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 1.023 HD13 ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 1.023 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.685 ' H ' HG23 ' B' ' 81' ' ' THR . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 88' ' ' LEU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.848 HG21 HG12 ' A' ' 85' ' ' ILE . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.885 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.998 HG22 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.813 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 91' ' ' MET . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.971 ' O ' HG22 ' B' ' 96' ' ' THR . 44.3 mm-40 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 1.122 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.82 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.971 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.805 HG21 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 1.122 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.788 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.515 ' HB3' HD11 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' B' ' 111' ' ' LEU . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.547 HD13 HG13 ' B' ' 117' ' ' ILE . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.56 HD12 ' H ' ' B' ' 117' ' ' ILE . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.642 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.987 HG12 ' CE1' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.987 ' CE1' HG12 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 1.032 ' CB ' HG21 ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' O ' ' A' ' 62' ' ' GLU . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.692 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.69 ' O ' HG11 ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.768 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.579 ' HG3' HG11 ' B' ' 90' ' ' VAL . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.821 ' HB3' HD13 ' B' ' 89' ' ' LEU . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.604 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.756 ' H ' HG23 ' A' ' 81' ' ' THR . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.893 HG21 ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.617 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.031 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' HD11 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' HD22 ' A' ' 95' ' ' LEU . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.911 ' O ' HG22 ' A' ' 96' ' ' THR . 41.2 tp60 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 1.159 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.672 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 1.159 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 103' ' ' GLN . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.752 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.753 ' HA ' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.647 HD12 ' H ' ' A' ' 117' ' ' ILE . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.853 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.681 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.781 HG13 ' CE1' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.781 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 1.079 ' CE2' HD22 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.645 HG11 ' O ' ' B' ' 62' ' ' GLU . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.517 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.645 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.85 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.474 ' H ' HD22 ' B' ' 64' ' ' LEU . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HB3' HD23 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 1.079 HD22 ' CE2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' B' ' 49' ' ' PHE . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.887 ' HB3' HD13 ' A' ' 89' ' ' LEU . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.733 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.031 HD11 HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.617 ' C ' HD13 ' B' ' 79' ' ' LEU . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.726 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.1 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.566 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.866 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.566 ' H ' HG23 ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.531 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CG2' HG21 ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.866 HD13 ' O ' ' B' ' 82' ' ' LYS . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.551 HD11 ' HE1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.464 ' HG3' HD21 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.467 ' HA ' HD22 ' B' ' 95' ' ' LEU . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.874 ' CE1' HG23 ' B' ' 118' ' ' VAL . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.756 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 1.032 HG21 ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.512 ' H ' HD13 ' B' ' 102' ' ' ILE . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' B' ' 120' ' ' LEU . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.532 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.874 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.504 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' THR . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 49' ' ' PHE . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.893 HG22 ' HB3' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.893 ' HB3' HG22 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.959 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.828 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.886 HD11 HG21 ' B' ' 97' ' ' ILE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.68 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.759 ' HB3' HD13 ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB2' HD21 ' B' ' 86' ' ' LEU . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.827 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.071 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.544 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 81' ' ' THR . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.596 ' OE1' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 1.099 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.938 HG12 HD23 ' B' ' 64' ' ' LEU . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.951 ' C ' HD22 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 1.028 ' O ' HG23 ' A' ' 97' ' ' ILE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.839 ' CE1' HG23 ' A' ' 118' ' ' VAL . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.951 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 1.028 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 121' ' ' VAL . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.73 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.603 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.425 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.737 ' HA ' HD13 ' A' ' 117' ' ' ILE . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.839 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.73 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 98' ' ' LEU . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.57 ' NE2' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.759 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 90' ' ' VAL . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.87 HD11 HG21 ' A' ' 97' ' ' ILE . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.936 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.408 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.099 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.418 ' C ' HD12 ' B' ' 79' ' ' LEU . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.637 HG23 ' HB3' ' B' ' 83' ' ' GLU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.637 ' HB3' HG23 ' B' ' 81' ' ' THR . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 1.071 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.887 HD12 HG22 ' B' ' 85' ' ' ILE . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 64' ' ' LEU . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.854 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 67' ' ' LEU . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.947 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.854 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.586 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.959 HD11 ' HB1' ' A' ' 63' ' ' ALA . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.82 HD22 HG21 ' B' ' 121' ' ' VAL . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 117' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' ARG . . . . . 0.859 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.557 HG22 ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 117' ' ' ILE . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.707 ' HA ' HD12 ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.727 ' HG2' HD12 ' B' ' 111' ' ' LEU . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.947 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.859 HD22 ' CB ' ' B' ' 105' ' ' ARG . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.82 HG21 HD22 ' B' ' 98' ' ' LEU . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.434 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB2' HD21 ' A' ' 67' ' ' LEU . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' HD1' HD12 ' B' ' 97' ' ' ILE . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.492 HG21 ' C ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' C ' HG21 ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 52' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.713 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.832 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.795 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.069 ' CD2' HD11 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' CB ' HG23 ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.833 ' O ' HD13 ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.938 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 1.069 HD11 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.954 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.772 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 96' ' ' THR . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.686 ' HB3' HD13 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.764 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 1.049 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.622 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.948 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.805 HG21 HD13 ' A' ' 98' ' ' LEU . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.652 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.601 ' HG3' HG23 ' A' ' 96' ' ' THR . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.817 ' HD2' HD21 ' B' ' 67' ' ' LEU . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.645 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.994 ' HA ' HD21 ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.687 ' O ' HG21 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.629 ' HA ' HG21 ' B' ' 57' ' ' VAL . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.994 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 61' ' ' GLN . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.622 ' O ' HD23 ' B' ' 70' ' ' LEU . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.817 HD21 ' HD2' ' B' ' 52' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.538 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 66' ' ' GLN . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.993 ' CD2' HD11 ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.659 ' C ' HD22 ' B' ' 79' ' ' LEU . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.659 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.457 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.726 HG23 ' H ' ' B' ' 83' ' ' GLU . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.526 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.726 ' H ' HG23 ' B' ' 81' ' ' THR . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.955 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.832 HD21 ' HB2' ' A' ' 72' ' ' ARG . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.993 HD11 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.668 ' OE1' HG21 ' B' ' 96' ' ' THR . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' B' ' 118' ' ' VAL . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.668 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.724 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.774 HD22 HG11 ' B' ' 121' ' ' VAL . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.73 HD12 ' N ' ' B' ' 103' ' ' GLN . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.73 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.678 ' O ' HD13 ' B' ' 111' ' ' LEU . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.678 HD13 ' O ' ' B' ' 106' ' ' VAL . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.787 ' HA ' HD13 ' B' ' 117' ' ' ILE . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.774 HG11 HD22 ' B' ' 98' ' ' LEU . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 121' ' ' VAL . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.484 ' CD2' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.972 ' CB ' HG21 ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' HG21 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.814 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.886 ' HB3' HD13 ' B' ' 89' ' ' LEU . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' CG ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.609 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 88' ' ' LEU . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.913 HG22 HD13 ' B' ' 75' ' ' LEU . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.919 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.877 ' CE1' HG23 ' A' ' 118' ' ' VAL . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.811 HD11 ' HB1' ' B' ' 63' ' ' ALA . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.979 HD13 HG21 ' A' ' 121' ' ' VAL . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.638 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.491 ' HE1' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.597 ' HA ' HD13 ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.877 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' LEU . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.77 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.7 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.77 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' B' ' 57' ' ' VAL . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.811 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 90' ' ' VAL . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.87 ' HB3' HD13 ' A' ' 89' ' ' LEU . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.991 HD22 HD12 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.699 ' O ' ' CE1' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.917 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.893 HG23 ' HD3' ' B' ' 82' ' ' LYS . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.893 ' HD3' HG23 ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 0.991 HD12 HD22 ' B' ' 75' ' ' LEU . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.801 ' HA ' HD11 ' B' ' 89' ' ' LEU . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.972 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.886 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.544 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.547 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.814 ' HB3' HD13 ' A' ' 67' ' ' LEU . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.907 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.779 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.671 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.972 HG21 ' CB ' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.847 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.847 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 112' ' ' MET . . . . . 0.441 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 113' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.435 ' HA ' HD13 ' B' ' 117' ' ' ILE . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.617 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.614 HG21 HD13 ' B' ' 98' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CB ' HD21 ' A' ' 67' ' ' LEU . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.633 HG21 ' HB3' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 57' ' ' VAL . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.987 HD23 HG12 ' B' ' 90' ' ' VAL . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CB ' ' A' ' 52' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.924 ' HB3' HD13 ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HD21 ' B' ' 86' ' ' LEU . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.661 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 1.005 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.971 ' NE2' HG21 ' B' ' 85' ' ' ILE . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.667 HG22 ' OE1' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.667 ' OE1' HG22 ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.919 HD21 ' HB2' ' B' ' 72' ' ' ARG . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 1.03 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.89 HG12 HD23 ' B' ' 64' ' ' LEU . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.552 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PHE . . . . . 0.932 ' CE1' HG23 ' A' ' 118' ' ' VAL . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.874 HG21 HD11 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD11 ' CE1' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.695 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.492 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.801 ' CG2' HD12 ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 0.5 OUTLIER -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.853 HD13 HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.508 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.853 HG13 HD13 ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.932 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.733 HG12 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.437 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' HIS . . . . . 0.733 ' CE1' HG12 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.608 ' CD1' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.707 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ALA . . . . . 0.707 ' HA ' HG23 ' B' ' 57' ' ' VAL . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' LEU . . . . . 0.89 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 97' ' ' ILE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HG3' HD23 ' A' ' 86' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 71' ' ' CYS . . . . . 0.657 ' CB ' HD13 ' A' ' 89' ' ' LEU . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 74' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 1.03 HD11 HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLN . . . . . 0.705 ' HB2' HD11 ' A' ' 85' ' ' ILE . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' ILE . . . . . 1.005 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 86' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 88' ' ' LEU . . . . . 0.67 HD11 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 89' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 90' ' ' VAL . . . . . 0.987 HG12 HD23 ' A' ' 64' ' ' LEU . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 91' ' ' MET . . . . . 0.931 ' C ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 92' ' ' GLU . . . . . 0.425 ' N ' HD22 ' B' ' 95' ' ' LEU . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 93' ' ' GLN . . . . . 0.653 ' O ' HG22 ' B' ' 96' ' ' THR . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 94' ' ' PHE . . . . . 0.773 ' CE1' HG23 ' B' ' 118' ' ' VAL . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' C ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 96' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 97' ' ' ILE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 98' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ILE . . . . . 0.851 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 103' ' ' GLN . . . . . 0.851 ' H ' HD13 ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 106' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 103' ' ' GLN . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 111' ' ' LEU . . . . . 0.401 HD21 ' O ' ' B' ' 106' ' ' VAL . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 114' ' ' SER . . . . . 0.673 ' HA ' HD13 ' B' ' 117' ' ' ILE . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 118' ' ' VAL . . . . . 0.773 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LEU . . . . . 0.668 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 121' ' ' VAL . . . . . 0.655 HG21 HD22 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.84 131.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.36 151.24 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.82 166.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.65 91.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 108.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.71 2.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.37 161.23 6.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.26 6.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 111.074 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -175.26 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.05 -52.37 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.601 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' B' ' 97' ' ' ILE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.839 ' H ' HG22 ' B' ' 97' ' ' ILE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE1' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG21 ' C ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.714 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.74 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.881 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.639 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.024 HD23 ' HG ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 1.008 ' N ' HD13 ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.808 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.808 ' H ' HG23 ' A' ' 81' ' ' THR . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CD1' ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 75' ' ' LEU . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.024 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.65 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.132 ' CZ ' HD11 ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.948 HD11 ' HB1' ' B' ' 63' ' ' ALA . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.986 HD22 HG11 ' A' ' 121' ' ' VAL . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG22 ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.596 ' HA ' HG12 ' A' ' 106' ' ' VAL . 2.4 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.8 ' CG2' HD13 ' A' ' 111' ' ' LEU . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.986 HG11 HD22 ' A' ' 98' ' ' LEU . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.873 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.715 ' CD2' ' CE2' ' B' ' 54' ' ' TYR . 0.1 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 123' ' ' ASP . . . -111.09 -165.79 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 m -162.34 74.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 176.72 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.94 121.11 3.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -107.52 91.96 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 172.63 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -123.45 -48.29 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 46.6 79.15 0.36 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.6 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -165.69 86.67 0.96 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.78 50.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.711 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -78.16 -55.56 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.711 ' N ' HD13 ' B' ' 44' ' ' LEU . 65.3 m -53.12 -24.3 10.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 108.235 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.615 HH21 HD12 ' B' ' 111' ' ' LEU . 6.2 tmm_? -77.89 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER -61.73 -10.88 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.715 ' CE2' ' CD2' ' A' ' 125' ' ' HIS . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.594 HG23 ' CB ' ' B' ' 62' ' ' GLU . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.594 ' CB ' HG23 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.948 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 1.132 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 93' ' ' GLN . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' B' ' 49' ' ' PHE . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.853 ' HB3' HD13 ' A' ' 89' ' ' LEU . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 1.5 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.492 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.602 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.583 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.602 ' H ' HG23 ' B' ' 81' ' ' THR . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.42 ' O ' HD22 ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.683 ' O ' HG23 ' B' ' 90' ' ' VAL . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 1.032 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.968 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.68 ' CE ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' B' ' 46' ' ' ARG . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.078 ' CE1' HD11 ' B' ' 98' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 93' ' ' GLN . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.839 HG22 ' H ' ' A' ' 53' ' ' CYS . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.078 HD11 ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.905 ' HA ' HD21 ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.764 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.563 ' CB ' HD13 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 102' ' ' ILE . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.629 ' N ' HG23 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 1.4 t-80 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.698 HD23 ' HB2' ' B' ' 103' ' ' GLN . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' B' ' 102' ' ' ILE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.943 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 119' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.753 HG12 ' CE1' ' B' ' 125' ' ' HIS . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.561 ' CA ' ' HB2' ' B' ' 127' ' ' ALA . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.753 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.3 OUTLIER -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 20.3 ttt180 175.53 71.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.561 ' HB2' ' CA ' ' B' ' 123' ' ' ASP . . . -57.23 -167.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -170.68 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.87 142.41 36.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 150.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.92 39.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.2 p -81.39 111.94 18.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 0.729 . . . . 0.0 109.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -152.77 170.25 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -165.33 147.22 7.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 p -43.11 127.99 3.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' CG ' ' NH2' ' A' ' 46' ' ' ARG . 12.3 t0 -159.97 84.13 2.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -179.97 5.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.06 14.25 17.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -74.66 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 41' ' ' ASP . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.855 ' HB2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.762 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.597 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 63' ' ' ALA . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.574 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.812 ' O ' HG11 ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.671 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.928 HD13 ' HG3' ' B' ' 93' ' ' GLN . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.741 ' HB2' HD13 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.762 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.762 ' H ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.944 HG22 HD13 ' B' ' 75' ' ' LEU . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.647 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.74 ' O ' HG22 ' A' ' 96' ' ' THR . 2.7 tp-100 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 118' ' ' VAL . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.995 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.78 HD12 ' CE2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 121' ' ' VAL . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 102' ' ' ILE . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.578 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.564 ' HE2' ' C ' ' A' ' 110' ' ' CYS . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' SER . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.984 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.853 ' N ' HD13 ' A' ' 120' ' ' LEU . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.789 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -46.77 164.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.8 -49.78 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.2 176.08 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -40.93 104.13 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.51 29.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 31.3 p 177.24 128.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 134.67 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.58 121.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 30.7 p -166.96 146.11 4.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 108.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.34 32.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.04 154.8 70.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 65.8 28.06 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.748 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.5 OUTLIER -80.47 -58.9 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.748 ' N ' HD13 ' B' ' 44' ' ' LEU . 7.4 m -52.06 -27.93 15.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' B' ' 92' ' ' GLU . 0.1 OUTLIER -80.41 -47.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.476 HE22 ' CD ' ' B' ' 103' ' ' GLN . 1.7 tt0 -66.46 -11.05 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.604 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.78 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.519 HG21 ' C ' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.434 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.937 ' O ' HD12 ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.519 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.653 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.937 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 70' ' ' LEU . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' B' ' 52' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.526 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 66' ' ' GLN . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 89' ' ' LEU . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' CB ' ' B' ' 45' ' ' CYS . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.944 HD13 HG22 ' A' ' 85' ' ' ILE . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.724 ' C ' HD22 ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.799 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.757 ' O ' HD13 ' B' ' 86' ' ' LEU . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.799 ' H ' HG23 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 88' ' ' LEU . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.938 HG12 HG21 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 90' ' ' VAL . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.609 HD22 ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 86' ' ' LEU . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.916 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.604 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.928 ' HG3' HD13 ' A' ' 67' ' ' LEU . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.232 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.916 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.565 HG22 ' O ' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.79 HD11 ' CE1' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.715 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.715 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' B' ' 103' ' ' GLN . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.448 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.4 ' HG2' HG23 ' B' ' 106' ' ' VAL . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.505 ' O ' HD12 ' B' ' 117' ' ' ILE . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.673 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 1.232 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.562 HG21 HD13 ' B' ' 98' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.479 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.2 m-70 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' B' ' 127' ' ' ALA . 3.2 mtm180 -104.47 -61.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 126' ' ' ARG . . . 59.35 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t 179.42 49.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -173.01 -153.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 175.87 -57.96 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.225 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -74.98 134.17 17.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -91.16 166.51 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 145.19 38.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -149.08 151.85 35.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.99 117.14 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 108.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 130.02 12.93 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 8.0 m-20 52.13 65.02 6.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -174.03 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 110.242 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -71.1 -54.89 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.705 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.705 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' O ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.061 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.5 m-70 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 83' ' ' GLU . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.812 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.571 ' H ' HG23 ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.649 ' CD ' ' CE1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.641 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.921 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.782 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' LEU . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.82 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.521 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.735 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.052 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.915 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' HD12 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.801 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.801 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.979 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 106' ' ' VAL . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 106' ' ' VAL . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.724 ' HA ' HD23 ' A' ' 120' ' ' LEU . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 1.052 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.979 HD22 ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.846 HG21 HD13 ' A' ' 98' ' ' LEU . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.846 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -45.01 126.97 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.9 t -163.18 34.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.45 148.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' CD ' ' OG1' ' A' ' 119' ' ' THR . 0.0 OUTLIER -149.8 152.83 35.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.3 42.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -128.13 169.12 14.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 137.37 28.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' B' ' 39' ' ' CYS . 3.9 t-20 -88.13 169.23 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 40' ' ' PRO . 0.4 OUTLIER 167.3 -54.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 39' ' ' CYS . 18.3 Cg_endo -74.97 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' B' ' 40' ' ' PRO . 0.2 OUTLIER 163.44 115.31 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 57.08 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 169.28 43.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.542 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.3 tm? -79.5 -55.77 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.494 ' N ' HD13 ' B' ' 44' ' ' LEU . 25.6 p -56.73 -26.12 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.359 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 74' ' ' TRP . 3.1 mtt180 -75.36 -57.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -11.03 53.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.425 ' H ' HG22 ' A' ' 97' ' ' ILE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' B' ' 66' ' ' GLN . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.576 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.549 ' O ' HG11 ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' HD13 ' B' ' 64' ' ' LEU . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.781 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.612 ' HG3' HG12 ' B' ' 57' ' ' VAL . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 93' ' ' GLN . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.843 ' HB3' HD13 ' A' ' 89' ' ' LEU . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.624 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.692 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.665 ' H ' HG23 ' B' ' 81' ' ' THR . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.841 HG22 HD13 ' A' ' 75' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' B' ' 89' ' ' LEU . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.55 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LEU . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.471 ' O ' HD13 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.452 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.683 ' O ' HG22 ' B' ' 96' ' ' THR . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.791 ' CE1' HG23 ' B' ' 118' ' ' VAL . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.73 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.848 HD13 HG21 ' B' ' 121' ' ' VAL . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.63 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.505 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' B' ' 111' ' ' LEU . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.591 ' HA ' HD13 ' B' ' 117' ' ' ILE . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.672 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.791 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.866 HG13 ' CE1' ' B' ' 125' ' ' HIS . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.638 ' HA ' ' HB2' ' B' ' 127' ' ' ALA . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.866 ' CE1' HG13 ' B' ' 121' ' ' VAL . 0.5 OUTLIER -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 175.37 65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 123' ' ' ASP . . . -42.19 142.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -161.32 58.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 173.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 115.61 53.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.77 43.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m 45.95 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -140.96 95.55 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.377 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 9.9 t30 -133.68 102.72 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 165.39 -53.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.0 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -126.37 128.93 24.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HG2' HD13 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.04 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -146.97 28.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.6 tm? -70.66 -48.75 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.692 ' HD2' HG21 ' B' ' 97' ' ' ILE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.874 ' HB3' HD13 ' B' ' 89' ' ' LEU . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NE ' HD23 ' B' ' 86' ' ' LEU . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.673 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.016 HD11 HD21 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.503 ' N ' ' ND1' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.703 ' C ' HD12 ' A' ' 85' ' ' ILE . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.853 ' O ' HD22 ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.869 HG12 HD13 ' A' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.057 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.122 HG22 ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.748 ' HG3' HD11 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.797 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.941 ' CE1' HG23 ' A' ' 118' ' ' VAL . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.84 HD11 ' HB1' ' B' ' 63' ' ' ALA . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.847 ' HA ' HD21 ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HD3' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 102' ' ' ILE . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.941 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.847 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.661 HG13 ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.661 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . 43.77 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.5 p -145.76 82.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.64 174.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.16 100.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.35 33.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.5 t -127.51 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.87 152.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -168.73 130.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 16.3 m -145.28 84.3 8.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.96 121.66 19.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 68.69 5.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 178.23 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.569 HD13 ' C ' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -72.76 -52.58 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.513 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.8 m -58.31 -25.67 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.6 OUTLIER -79.34 -49.29 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.417 ' N ' ' HD3' ' B' ' 46' ' ' ARG . 3.2 tt0 -68.78 -10.9 59.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.717 ' HD1' HD12 ' A' ' 97' ' ' ILE . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.765 HG23 ' O ' ' B' ' 59' ' ' GLY . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.812 ' O ' HD12 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.578 ' C ' HG21 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.84 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.812 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 93' ' ' GLN . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 1.122 ' HA ' HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.471 ' HG2' ' N ' ' B' ' 70' ' ' LEU . 0.0 OUTLIER -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' B' ' 49' ' ' PHE . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.721 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.057 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.597 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.836 ' H ' HG23 ' B' ' 81' ' ' THR . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.785 HG22 ' CD1' ' A' ' 75' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.569 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.517 ' HG3' ' NE2' ' B' ' 93' ' ' GLN . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.888 ' O ' HG22 ' B' ' 96' ' ' THR . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.788 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.888 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' B' ' 102' ' ' ILE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.401 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' B' ' 120' ' ' LEU . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.642 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.62 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' ARG . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.455 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.692 HG23 ' HG ' ' B' ' 111' ' ' LEU . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.543 ' N ' HG13 ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.947 HD13 HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' HD12 ' B' ' 117' ' ' ILE . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.947 HG12 HD13 ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 119' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.696 HG22 ' CE1' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.696 ' CE1' HG22 ' B' ' 121' ' ' VAL . 0.7 OUTLIER -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -81.86 -46.41 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.24 168.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.25 57.89 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -130.18 158.55 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 159.68 44.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.62 42.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.446 1.761 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -176.78 172.94 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 179.21 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -151.66 102.52 2.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 56.8 m 42.54 65.19 5.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.03 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 124.46 37.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.91 3.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 168.92 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -80.41 -60.97 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 1.102 ' CG ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.75 ' CE2' HD13 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.499 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CG ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.856 HD23 HG12 ' B' ' 90' ' ' VAL . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 HG21 ' B' ' 97' ' ' ILE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.102 HD22 ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.684 ' SG ' HD13 ' B' ' 89' ' ' LEU . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.817 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 78' ' ' GLU . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 82' ' ' LYS . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.912 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.47 ' NE2' ' ND1' ' A' ' 80' ' ' HIS . 0.1 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.884 HG22 HD13 ' B' ' 75' ' ' LEU . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 82' ' ' LYS . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.074 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 86' ' ' LEU . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.75 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.869 ' O ' HG22 ' A' ' 96' ' ' THR . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.673 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.917 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.79 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 102' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 98' ' ' LEU . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.68 ' HA ' HD13 ' A' ' 117' ' ' ILE . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.673 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.51 ' O ' ' ND1' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.692 ' HA ' ' HE1' ' A' ' 125' ' ' HIS . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.692 ' HE1' ' HA ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.75 -145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.6 m -57.99 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.15 -163.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 85.34 49.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 158.41 42.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.83 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 20.66 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -126.66 12.44 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -158.19 134.29 6.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 68.68 5.8 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.37 163.6 0.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.18 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -141.24 -44.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.219 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.805 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.2 OUTLIER -67.36 -55.19 14.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.805 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.8 OUTLIER -74.53 -35.31 63.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.322 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER -60.76 -33.29 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -84.35 -38.09 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.961 ' CD1' HD11 ' B' ' 70' ' ' LEU . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.472 ' HE2' ' CD2' ' A' ' 125' ' ' HIS . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.456 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.79 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' B' ' 68' ' ' ARG . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 97' ' ' ILE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.961 HD11 ' CD1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.074 ' CD1' HD21 ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.963 ' HB3' HG22 ' B' ' 81' ' ' THR . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.498 ' CB ' ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.963 HG22 ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.809 ' HB2' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.735 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.856 HG12 HD23 ' A' ' 64' ' ' LEU . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.557 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.975 ' O ' HG22 ' B' ' 96' ' ' THR . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.098 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.699 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.975 HG22 ' O ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.75 HD13 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.098 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.795 ' HG3' HD11 ' B' ' 120' ' ' LEU . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.765 HG22 HD21 ' B' ' 120' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.762 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 102' ' ' ILE . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.414 ' HE3' ' HB2' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.679 HD12 ' H ' ' B' ' 117' ' ' ILE . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.846 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.795 HD11 ' HG3' ' B' ' 101' ' ' GLU . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 1.065 HG21 HD13 ' B' ' 98' ' ' LEU . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.519 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.6 m-70 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -97.71 -41.95 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.38 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.45 46.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.06 -65.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.08 147.2 46.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.83 28.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.579 1.831 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 171.39 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 27.85 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -125.29 -163.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -136.28 66.03 58.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.324 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.04 118.95 5.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 169.88 166.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -81.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.1 22.57 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 2.3 tm? -75.16 -50.42 16.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.678 ' HG2' HD21 ' A' ' 67' ' ' LEU . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG21 ' C ' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.603 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.638 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.678 HD21 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.718 ' HA ' HG21 ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.928 ' HB3' HD13 ' B' ' 89' ' ' LEU . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.972 ' CZ2' HD11 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.983 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' N ' HD12 ' A' ' 79' ' ' LEU . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.792 ' H ' HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.953 ' CG1' HG21 ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' MET . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.972 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.046 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.663 ' HG3' HD21 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.513 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.966 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 118' ' ' VAL . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 93' ' ' GLN . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' CD2' ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.664 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.687 ' SD ' HG13 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.81 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.947 ' CD2' HG23 ' A' ' 106' ' ' VAL . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 117' ' ' ILE . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -44.0 125.89 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 t -161.25 28.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.18 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt 58.56 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.53 100.51 2.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 160.74 40.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HE2' ' CB ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -178.73 147.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.01 152.54 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.25 125.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.93 133.42 18.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.46 25.32 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.435 1.756 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -120.03 145.59 40.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 54.44 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 3.3 mt-10 161.54 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.581 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.1 tm? -80.2 -57.41 3.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.575 ' N ' HD13 ' B' ' 44' ' ' LEU . 12.8 m -55.61 -22.87 24.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.265 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.567 ' CG ' ' CD1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -78.16 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -63.13 -10.19 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.59 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.571 HG21 ' HA ' ' B' ' 63' ' ' ALA . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.431 ' CB ' ' HE2' ' A' ' 132' ' ' LYS . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.54 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.68 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' B' ' 49' ' ' PHE . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.51 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' B' ' 49' ' ' PHE . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.856 ' HB3' HD13 ' A' ' 89' ' ' LEU . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.759 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.552 ' N ' HD12 ' B' ' 79' ' ' LEU . 1.3 m-70 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 83' ' ' GLU . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.821 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.813 ' H ' HG23 ' B' ' 81' ' ' THR . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.953 HG21 ' CG1' ' A' ' 85' ' ' ILE . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.887 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.939 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.887 HG23 ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.677 ' HB3' HD21 ' A' ' 67' ' ' LEU . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.796 ' CE1' HG23 ' B' ' 118' ' ' VAL . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.638 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.538 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.816 HD13 ' HB3' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.64 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' B' ' 120' ' ' LEU . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 1.0 OUTLIER 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.441 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.492 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.783 HG12 ' CE1' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.783 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.3 OUTLIER -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' B' ' 127' ' ' ALA . 0.1 OUTLIER 166.32 39.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 126' ' ' ARG . . . 36.66 -153.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.13 34.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.47 73.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 117.07 64.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 162.99 35.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -79.16 135.34 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -173.14 111.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -41.64 159.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.43 130.04 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 108.358 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.74 95.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.9 9.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 65.66 34.89 7.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.368 1.042 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.26 -55.82 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.628 ' H ' HG22 ' B' ' 97' ' ' ILE . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HD1' HD12 ' B' ' 97' ' ' ILE . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.711 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.808 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.668 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.536 ' H ' HD22 ' A' ' 64' ' ' LEU . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' B' ' 93' ' ' GLN . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.976 ' HB3' HD13 ' B' ' 89' ' ' LEU . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.676 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.105 HD11 HD21 ' B' ' 89' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.594 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.732 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.732 ' H ' HG23 ' A' ' 81' ' ' THR . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.738 ' CG2' HG21 ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.973 HD11 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.87 HG12 HD23 ' B' ' 64' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.888 ' O ' HD22 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.99 ' CE1' HG23 ' A' ' 118' ' ' VAL . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.823 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 121' ' ' VAL . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.851 ' CB ' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.551 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 117' ' ' ILE . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 103' ' ' GLN . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.504 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.639 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.99 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.998 HG21 HD13 ' A' ' 98' ' ' LEU . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.475 ' CG ' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.33 159.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -44.79 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 161.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 124.54 0.41 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.35 41.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.545 1.813 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.93 -56.97 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 174.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 39' ' ' CYS . 1.6 m-20 59.25 159.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' B' ' 38' ' ' ASN . 28.5 p 38.72 72.89 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 152.09 61.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.23 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD13 ' N ' ' B' ' 45' ' ' CYS . 1.0 OUTLIER -77.83 -58.04 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.614 ' N ' HD13 ' B' ' 44' ' ' LEU . 29.2 p -54.97 -25.03 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.491 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 61.9 ttt-85 -73.82 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.38 -12.02 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.487 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.615 ' CD2' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.591 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.87 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 93' ' ' GLN . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.734 ' HB3' HD13 ' A' ' 89' ' ' LEU . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.858 ' CZ2' HD11 ' B' ' 88' ' ' LEU . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.973 HD11 HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.742 HD13 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.461 ' CA ' ' HB2' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.647 ' O ' HD13 ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.461 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.738 HG21 ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.834 ' O ' HD12 ' B' ' 89' ' ' LEU . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.858 HD11 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.851 ' O ' HG22 ' B' ' 96' ' ' THR . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.808 HD11 ' HB1' ' A' ' 63' ' ' ALA . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.085 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.837 HG21 HD13 ' B' ' 98' ' ' LEU . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.826 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.457 ' HD2' HD22 ' B' ' 120' ' ' LEU . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.654 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.454 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.789 ' N ' HD13 ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.97 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.689 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.682 HG21 HD13 ' B' ' 98' ' ' LEU . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.41 -39.73 20.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.38 -72.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.77 -71.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.5 tttt 43.13 50.91 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' B' ' 131' ' ' PRO . 0.0 OUTLIER -52.09 -56.03 25.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -75.06 141.53 26.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -59.03 -65.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 0.766 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.98 166.33 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -55.81 129.53 39.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 167.79 -56.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.01 139.11 23.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.99 69.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' OE2' ' CG ' ' A' ' 103' ' ' GLN . 6.2 pt-20 -66.95 -19.46 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -71.45 -51.72 22.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.718 ' CD2' HD13 ' B' ' 97' ' ' ILE . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' CE2' ' A' ' 54' ' ' TYR . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.56 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.662 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 49' ' ' PHE . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.832 ' HB3' HD13 ' B' ' 89' ' ' LEU . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.697 ' HG2' HD23 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.086 HD12 HD12 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.882 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 68' ' ' ARG . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.788 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' CA ' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.791 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' A' ' 118' ' ' VAL . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.657 HG23 ' HG3' ' B' ' 51' ' ' ARG . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.687 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.689 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.551 ' CB ' HD22 ' A' ' 120' ' ' LEU . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 103' ' ' GLN . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 2.5 t-80 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.575 ' HB3' HD13 ' A' ' 111' ' ' LEU . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.583 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.907 HG21 ' HA ' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.604 HG13 ' CE1' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.771 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.604 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -51.5 127.72 20.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.04 32.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.87 160.15 21.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 72.6 48.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.7 42.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.582 1.833 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -113.49 67.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.26 177.18 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 34.8 t30 179.4 96.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 69.44 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 108.294 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.45 4.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.583 1.833 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -163.32 101.04 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -152.72 -44.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.704 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -72.1 -53.49 12.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.704 ' N ' HD13 ' B' ' 44' ' ' LEU . 28.7 p -53.88 -27.83 32.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.49 -47.83 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -65.85 -12.41 54.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.791 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.657 ' HG3' HG23 ' A' ' 96' ' ' THR . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 1.253 ' CE1' HD22 ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.633 HG11 ' O ' ' B' ' 62' ' ' GLU . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.907 ' HA ' HG21 ' A' ' 118' ' ' VAL . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.633 ' O ' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.649 ' N ' HD13 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 1.253 HD22 ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.575 ' HA ' HG22 ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.616 HD12 ' HZ ' ' B' ' 52' ' ' PHE . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.784 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.886 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.989 ' O ' HD22 ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.989 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.816 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.914 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.816 ' H ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.805 HG21 HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 1.086 HD12 HD12 ' A' ' 75' ' ' LEU . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 91' ' ' MET . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.817 ' O ' HD22 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.489 ' CA ' HD22 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.798 ' CE1' HG23 ' B' ' 118' ' ' VAL . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.907 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.81 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.81 HG21 ' CD1' ' B' ' 98' ' ' LEU . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.498 ' H ' HD13 ' B' ' 102' ' ' ILE . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 102' ' ' ILE . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.566 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.575 HD22 ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.501 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.527 ' HA ' HD13 ' B' ' 117' ' ' ILE . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.654 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.798 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.597 HG22 ' HE1' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.662 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.597 ' HE1' HG22 ' B' ' 121' ' ' VAL . 0.6 OUTLIER -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 157.89 68.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -156.27 157.78 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' SER . . . . . 0.46 ' O ' ' N ' ' B' ' 130' ' ' LYS . 2.6 m -91.73 -47.49 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.61 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 128' ' ' SER . 14.6 pttt -128.47 157.97 73.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.94 162.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 110.032 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 76.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 p30 175.0 169.4 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.14 69.11 10.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.601 1.843 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -165.23 64.56 1.03 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.51 -25.72 64.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -75.39 -50.83 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 44' ' ' LEU . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CB ' HD21 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CA ' HD12 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB3' HG11 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD11 HG21 ' B' ' 97' ' ' ILE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' B' ' 89' ' ' LEU . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.805 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.007 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.689 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.882 HG21 HG12 ' B' ' 85' ' ' ILE . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.967 HD22 HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.051 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.951 ' O ' HG22 ' A' ' 96' ' ' THR . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.157 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 54' ' ' TYR . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.859 HG21 HD13 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.661 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' A' ' 111' ' ' LEU . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 106' ' ' VAL . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' B' ' 60' ' ' PRO . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.712 ' CE1' HG12 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 37.2 -154.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 39.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 152.74 38.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 104.42 55.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.71 2.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.2 tptt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 165.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 90.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.75 142.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.91 99.98 0.74 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 107.16 2.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.94 116.66 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -61.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.52 1.8 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.36 38.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.539 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.5 tm? -80.07 -54.87 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.443 ' N ' HD13 ' B' ' 44' ' ' LEU . 5.9 p -51.13 -25.49 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.632 ' CD ' ' CD1' ' B' ' 74' ' ' TRP . 4.8 mmp_? -81.05 -54.96 5.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -11.67 12.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.908 ' CZ ' HG13 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 97' ' ' ILE . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.874 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.582 ' O ' HD22 ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.487 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.77 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.414 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.883 HD22 ' HG2' ' A' ' 93' ' ' GLN . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.803 ' HB3' HD13 ' A' ' 89' ' ' LEU . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.672 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.536 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.92 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.051 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.516 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.516 ' N ' HD12 ' B' ' 79' ' ' LEU . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.654 HG23 ' H ' ' B' ' 83' ' ' GLU . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.675 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.654 ' H ' HG23 ' B' ' 81' ' ' THR . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.882 HG12 HG21 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' B' ' 89' ' ' LEU . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.89 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.007 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 86' ' ' LEU . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.499 ' HG3' HD21 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.86 ' O ' HG22 ' B' ' 96' ' ' THR . 0.1 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.86 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.8 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.899 HD13 HG21 ' B' ' 121' ' ' VAL . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.497 ' N ' HD12 ' B' ' 102' ' ' ILE . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.634 ' O ' HD21 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.683 HG22 HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.683 HD11 HG22 ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.537 ' HA ' HD13 ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.759 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.571 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.899 HG21 HD13 ' B' ' 98' ' ' LEU . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.841 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.6 OUTLIER -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 173.68 69.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -164.54 144.86 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 72.5 m -97.71 83.53 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.039 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -155.45 118.66 4.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.82 157.54 69.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.38 37.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t 178.16 122.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -36.18 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 43.94 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m 44.83 78.28 0.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.88 41.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 123.72 84.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.34 5.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.4 42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -74.94 -56.58 4.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.545 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD13 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.728 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.853 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.728 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.964 HD13 ' HG3' ' B' ' 93' ' ' GLN . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.729 ' HB2' HD13 ' B' ' 89' ' ' LEU . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' B' ' 89' ' ' LEU . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.716 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' B' ' 85' ' ' ILE . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.819 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.655 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' O ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.836 ' CE1' HG23 ' A' ' 118' ' ' VAL . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.767 HD12 ' HD1' ' B' ' 54' ' ' TYR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.907 ' HB ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.624 ' H ' HD13 ' A' ' 102' ' ' ILE . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.665 ' N ' HG13 ' A' ' 106' ' ' VAL . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.55 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 113' ' ' SER . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.836 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.907 HD21 ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.766 HG13 ' CE1' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.766 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.6 OUTLIER -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -53.82 -71.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.2 t 47.32 47.95 16.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.58 172.94 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 152.5 17.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.37 2.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.567 1.825 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -166.78 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 -173.18 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -161.61 149.13 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 75.22 74.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.352 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.91 6.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.75 152.87 77.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.403 1.739 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.49 39.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.641 HD13 ' C ' ' B' ' 44' ' ' LEU . 0.8 OUTLIER -86.49 -49.26 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.492 ' N ' HD13 ' B' ' 44' ' ' LEU . 32.0 p -59.56 -31.64 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -77.96 -53.22 7.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.96 -11.25 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.615 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.767 ' HD1' HD12 ' A' ' 97' ' ' ILE . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.436 ' HA ' HG21 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.525 ' CB ' HG21 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 52' ' ' PHE . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 1.068 ' HB3' HD13 ' A' ' 89' ' ' LEU . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.652 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.611 ' CE1' ' HB3' ' B' ' 84' ' ' GLN . 0.2 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.648 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.612 ' O ' HD22 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.648 ' H ' HG23 ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.611 ' HB3' ' CE1' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.954 ' O ' HD12 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.954 HD12 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 68' ' ' ARG . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.931 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 96' ' ' THR . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.964 ' HG3' HD13 ' A' ' 67' ' ' LEU . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.964 ' CE1' HG23 ' B' ' 118' ' ' VAL . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.443 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 93' ' ' GLN . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.704 HD12 ' CG2' ' B' ' 102' ' ' ILE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.651 ' OE1' HG13 ' B' ' 121' ' ' VAL . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.704 ' CG2' HD12 ' B' ' 98' ' ' LEU . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' GLU . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.6 HG13 ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.888 HH12 ' NZ ' ' B' ' 132' ' ' LYS . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.57 ' N ' HD23 ' B' ' 111' ' ' LEU . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.543 ' HE3' ' HG2' ' B' ' 116' ' ' GLU . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.964 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.872 HG12 ' CE1' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.509 ' CA ' ' HB2' ' B' ' 127' ' ' ALA . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.872 ' CE1' HG12 ' B' ' 121' ' ' VAL . 0.8 OUTLIER -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 176.51 70.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CA ' ' B' ' 123' ' ' ASP . . . -52.69 175.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t -114.74 -53.21 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -143.78 -63.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.33 93.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 146.65 33.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.888 ' NZ ' HH12 ' B' ' 109' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -139.5 76.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 0.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 126.51 31.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -174.69 111.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.93 68.54 8.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.41 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -150.23 84.13 5.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 55.63 4.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.2 mp0 65.84 27.43 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.76 -47.97 56.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.819 ' HG3' HG21 ' B' ' 96' ' ' THR . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.83 ' HB3' HG21 ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.637 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.641 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.065 HD21 HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.826 ' HB3' HD13 ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.944 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 1.021 ' N ' HD13 ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.709 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG23 ' A' ' 81' ' ' THR . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 88' ' ' LEU . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 82' ' ' LYS . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.695 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.609 ' OE1' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 118' ' ' VAL . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.669 HG22 ' H ' ' B' ' 53' ' ' CYS . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 102' ' ' ILE . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' C ' HG12 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.697 ' HA ' HD13 ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.799 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . -152.78 155.71 37.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -118.84 83.42 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' LYS . 7.4 mmtt -126.87 129.18 47.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -39.38 108.01 0.47 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 130.26 13.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.7 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -177.27 74.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 0.713 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.03 141.15 40.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 168.54 137.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.59 137.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.52 40.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -165.81 126.3 1.28 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.644 1.215 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 78.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.31 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.4 tm? -75.66 -53.25 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.447 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.1 m -55.21 -24.19 26.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -78.12 -55.49 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.6 -11.97 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.61 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.669 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.623 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 89' ' ' LEU . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.018 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.883 ' O ' HD22 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.686 HG23 ' H ' ' B' ' 83' ' ' GLU . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.745 ' O ' HD13 ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.686 ' H ' HG23 ' B' ' 81' ' ' THR . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.483 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.944 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 86' ' ' LEU . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.794 ' O ' HD22 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 93' ' ' GLN . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.791 ' O ' HG22 ' B' ' 96' ' ' THR . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.794 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.819 HG21 ' HG3' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.927 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.806 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.806 ' H ' HD13 ' B' ' 102' ' ' ILE . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' B' ' 111' ' ' LEU . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.625 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.608 ' CE ' HD11 ' B' ' 117' ' ' ILE . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.743 ' HA ' HD12 ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 1.065 HG21 HD21 ' A' ' 64' ' ' LEU . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.778 HG21 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -61.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.01 -168.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.53 43.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -162.65 133.16 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.465 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 173.26 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 131' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.0 Cg_endo -75.08 143.02 28.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 mppp? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -171.37 136.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.79 131.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.46 151.1 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -178.46 154.97 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -75.01 163.14 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.61 1.847 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -39.45 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.7 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . 8.3 pt-20 -169.82 31.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? -88.87 -37.06 15.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.839 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.718 ' HE ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.492 ' H ' HG22 ' B' ' 97' ' ' ILE . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' A' ' 60' ' ' PRO . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.731 ' C ' HG21 ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 1.036 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.769 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.839 HD22 ' CB ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.961 ' HB3' HD13 ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.572 ' C ' ' CD1' ' A' ' 74' ' ' TRP . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.99 HD11 HD21 ' B' ' 89' ' ' LEU . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.587 ' HB3' ' CE1' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.806 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' HG23 ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.961 HG22 HD13 ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.769 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.678 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.774 ' CE1' HG23 ' A' ' 118' ' ' VAL . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.766 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 121' ' ' VAL . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.594 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' C ' ' A' ' 103' ' ' GLN . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 116' ' ' GLU . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 117' ' ' ILE . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.799 ' HB3' HD13 ' A' ' 111' ' ' LEU . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 111' ' ' LEU . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.774 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.841 HG13 ' CE1' ' A' ' 125' ' ' HIS . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.762 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.841 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.8 OUTLIER -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -38.23 117.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' LYS . 4.7 t -138.65 60.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' SER . 0.0 OUTLIER -39.96 110.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 138.8 6.37 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 148.75 35.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -175.18 127.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.76 57.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 170.24 160.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -47.76 105.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 74' ' ' TRP . 18.5 Cg_endo -74.92 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 87.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.477 ' HA ' HH21 ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.0 -91.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.803 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.19 8.83 44.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' B' ' 92' ' ' GLU . 2.8 tm? -64.4 -38.51 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 p -73.44 -24.35 60.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 108.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -55.61 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.09 -44.15 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.746 ' HZ ' HG22 ' B' ' 57' ' ' VAL . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.746 HG22 ' HZ ' ' B' ' 52' ' ' PHE . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.609 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.614 ' C ' HG21 ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.67 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.678 ' HB3' HD13 ' A' ' 89' ' ' LEU . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.837 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.98 HD23 ' HG ' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.542 ' HG3' HD11 ' B' ' 85' ' ' ILE . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.738 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.738 ' H ' HG23 ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.644 HG12 HG21 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.669 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.98 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 86' ' ' LEU . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.883 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.798 ' HB3' HD21 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 1.008 ' O ' HG22 ' B' ' 96' ' ' THR . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.185 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 96' ' ' THR . . . . . 1.008 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 1.036 HD11 ' HB1' ' A' ' 63' ' ' ALA . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.185 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.84 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.84 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.512 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.422 ' HA ' HD13 ' B' ' 117' ' ' ILE . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.417 ' CG ' ' HE1' ' B' ' 112' ' ' MET . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.646 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.615 HG13 ' CE1' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.615 ' CE1' HG13 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.49 71.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -166.77 175.45 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 -54.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 115.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -45.95 107.05 0.62 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.83 38.45 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 p -117.64 -61.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.74 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.439 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -166.73 74.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -179.33 167.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.71 72.74 68.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.42 24.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.4 67.24 0.34 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.17 5.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' OE1' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -169.73 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.8 tm? -70.29 -52.31 23.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.204 ' CE1' HD11 ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.69 ' HA ' HG22 ' B' ' 97' ' ' ILE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.676 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.801 ' HA ' HD21 ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' C ' HG21 ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 57' ' ' VAL . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.801 HD21 ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.204 HD11 ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.837 ' HB3' HD13 ' B' ' 89' ' ' LEU . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.858 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.102 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.851 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.006 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.934 HD21 HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.893 ' C ' HD22 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 97' ' ' ILE . 1.2 tp-100 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.111 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.893 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.111 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 120' ' ' LEU . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.978 ' O ' HG13 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.823 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.637 ' CE ' HD11 ' A' ' 117' ' ' ILE . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.789 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.873 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 1.005 HG21 HD13 ' A' ' 98' ' ' LEU . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.877 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.5 OUTLIER -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -61.64 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.7 t 70.2 19.78 6.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -153.7 144.54 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.59 71.95 43.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.38 2.47 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.6 tptp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.42 157.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -178.35 176.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.8 166.49 15.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -74.83 142.45 76.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.263 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.39 9.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.33 163.82 65.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.7 Cg_endo -74.97 88.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.071 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 0.1 OUTLIER 165.36 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 44' ' ' LEU . 2.0 tm? -77.99 -52.52 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.12 -30.32 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.656 ' NH2' ' CE3' ' B' ' 74' ' ' TRP . 12.6 mmm180 -78.74 -53.05 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -63.89 -10.94 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.694 ' CE1' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.722 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.81 ' HA ' HD21 ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 93' ' ' GLN . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.728 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' ' NH2' ' B' ' 46' ' ' ARG . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.934 HD21 HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.816 HD21 ' O ' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.743 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.471 ' HB2' ' CB ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 85' ' ' ILE . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.866 ' HA ' HD11 ' B' ' 89' ' ' LEU . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.102 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.468 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.66 ' HA ' HD22 ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 1.001 ' O ' HG22 ' B' ' 96' ' ' THR . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.025 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 96' ' ' THR . . . . . 1.001 HG22 ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.983 HG21 ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.025 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 1.0 ' HB3' HD11 ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.869 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.503 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.769 ' C ' HD22 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.647 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 1.0 HD11 ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' B' ' 127' ' ' ALA . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 127' ' ' ALA . 0.0 OUTLIER 172.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.44 ' CA ' ' HA ' ' B' ' 123' ' ' ASP . . . 50.79 176.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 10.4 t 174.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 64.22 153.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.91 84.8 52.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.45 3.12 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -178.89 89.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -73.81 -67.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.94 70.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -169.1 157.85 7.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.253 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.53 6.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.55 156.53 77.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 94.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -171.4 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.67 -50.31 45.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.612 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.632 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HA ' HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.67 ' CB ' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.799 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 52' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.664 ' CB ' HD13 ' B' ' 89' ' ' LEU . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.032 HD11 HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.048 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.797 HD12 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.677 HD11 HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.877 HG12 HD23 ' B' ' 64' ' ' LEU . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.741 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.892 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.856 ' CE1' HG23 ' A' ' 118' ' ' VAL . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.973 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' HG3' HD11 ' A' ' 120' ' ' LEU . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.86 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.86 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 102' ' ' ILE . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.657 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HB2' ' HE2' ' A' ' 112' ' ' MET . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.509 HG23 ' HB ' ' A' ' 102' ' ' ILE . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.856 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.592 ' N ' HG12 ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.891 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . 162.32 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 86.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.46 101.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.72 90.62 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.26 20.22 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 149.0 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 0.81 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 179.39 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -40.68 142.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 125.37 57.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -74.94 -171.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 40' ' ' PRO . 0.7 OUTLIER 61.7 136.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.11 25.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 71.52 42.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' C ' ' B' ' 44' ' ' LEU . 2.0 tm? -83.05 -60.27 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.453 ' N ' HD13 ' B' ' 44' ' ' LEU . 4.2 t -48.14 -30.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -81.05 -46.31 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.426 ' C ' ' HG2' ' B' ' 50' ' ' ARG . 47.0 tt0 -63.96 -12.67 39.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.679 ' HZ ' HG13 ' B' ' 57' ' ' VAL . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.632 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.693 ' HD1' HD12 ' A' ' 97' ' ' ILE . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.626 ' HB2' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.679 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.437 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.464 ' C ' HG21 ' B' ' 57' ' ' VAL . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.973 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 90' ' ' VAL . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' B' ' 52' ' ' PHE . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.56 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.963 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.823 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.735 HG23 ' HB2' ' B' ' 83' ' ' GLU . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.514 ' HB2' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.735 ' HB2' HG23 ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 72' ' ' ARG . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.568 HD22 HD22 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 64' ' ' LEU . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.721 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.627 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' B' ' 118' ' ' VAL . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.492 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.799 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.779 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.552 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' B' ' 112' ' ' MET . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.854 ' HG2' HG22 ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.535 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.896 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.68 ' CG1' ' CE1' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.981 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.68 ' CE1' ' CG1' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 172.44 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.981 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -121.74 -46.27 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.3 t -175.03 -72.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 172.46 176.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.64 90.04 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.66 35.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.11 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.97 153.36 31.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -140.61 104.93 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t 51.6 69.13 2.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -174.9 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 44' ' ' LEU . 70.2 m-20 -157.46 128.65 3.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -161.82 49.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.4 tm? -74.37 -60.65 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 44' ' ' LEU . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 1.038 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CA ' HD12 ' B' ' 97' ' ' ILE . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HG2' HD13 ' A' ' 64' ' ' LEU . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.925 HD23 HG12 ' B' ' 90' ' ' VAL . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.038 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' B' ' 89' ' ' LEU . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 86' ' ' LEU . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.669 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.885 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.769 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.73 ' H ' HG23 ' A' ' 81' ' ' THR . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.971 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.855 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.476 ' CA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.934 ' O ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.934 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.951 HD11 ' HB1' ' B' ' 63' ' ' ALA . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.939 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.758 ' HB3' HD11 ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' HA ' HG12 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 103' ' ' GLN . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.8 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.853 HG13 ' CE1' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.633 ' CA ' ' HB2' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.853 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.4 OUTLIER -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB2' ' CA ' ' A' ' 123' ' ' ASP . . . -56.82 157.85 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.66 57.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.66 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -154.04 111.15 2.49 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 121.36 6.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.596 1.84 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.7 110.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -168.72 117.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -172.51 130.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.51 169.79 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 108.337 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 176.01 10.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.411 ' CB ' ' CD ' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -167.11 173.86 2.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.413 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -74.96 -15.92 20.59 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.788 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -174.6 63.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.999 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.0 OUTLIER -78.82 -50.47 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.999 ' N ' HD13 ' B' ' 44' ' ' LEU . 46.7 m -52.27 -27.21 14.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.375 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 30.8 ttp180 -79.99 -52.96 7.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -11.16 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.782 ' CB ' HD21 ' B' ' 67' ' ' LEU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.702 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' A' ' 97' ' ' ILE . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.66 HG21 ' C ' ' B' ' 62' ' ' GLU . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.66 ' C ' HG21 ' B' ' 57' ' ' VAL . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.951 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.909 HD23 HG12 ' A' ' 90' ' ' VAL . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.782 HD21 ' CB ' ' B' ' 52' ' ' PHE . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.976 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CE ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 1.023 HD13 ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 1.023 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.685 ' H ' HG23 ' B' ' 81' ' ' THR . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 88' ' ' LEU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.848 HG21 HG12 ' A' ' 85' ' ' ILE . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.885 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.998 HG22 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.813 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 91' ' ' MET . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.971 ' O ' HG22 ' B' ' 96' ' ' THR . 44.3 mm-40 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 1.122 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.82 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.971 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.805 HG21 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 1.122 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.788 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.515 ' HB3' HD11 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' B' ' 111' ' ' LEU . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.547 HD13 HG13 ' B' ' 117' ' ' ILE . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.56 HD12 ' H ' ' B' ' 117' ' ' ILE . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.642 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.987 HG12 ' CE1' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.802 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.987 ' CE1' HG12 ' B' ' 121' ' ' VAL . 1.0 OUTLIER -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.19 67.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -159.47 167.32 28.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t -148.89 76.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -148.67 140.59 23.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.62 89.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.391 1.057 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.54 23.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 132' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' B' ' 132' ' ' LYS . 9.8 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 104.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 0.823 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -151.08 138.16 19.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -177.71 102.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.31 168.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.56 5.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.18 155.69 0.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.45 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -47.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.41 -49.38 42.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 1.032 ' CB ' HG21 ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' O ' ' A' ' 62' ' ' GLU . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.692 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.69 ' O ' HG11 ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.768 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.579 ' HG3' HG11 ' B' ' 90' ' ' VAL . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.821 ' HB3' HD13 ' B' ' 89' ' ' LEU . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.604 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.756 ' H ' HG23 ' A' ' 81' ' ' THR . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.893 HG21 ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.617 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.031 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' HD11 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' HD22 ' A' ' 95' ' ' LEU . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.911 ' O ' HG22 ' A' ' 96' ' ' THR . 41.2 tp60 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 1.159 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.672 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 1.159 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 103' ' ' GLN . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.752 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.753 ' HA ' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.647 HD12 ' H ' ' A' ' 117' ' ' ILE . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.853 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.681 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.781 HG13 ' CE1' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.781 ' CE1' HG13 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . -164.42 147.24 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 86.85 2.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -101.22 -168.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -135.09 70.18 69.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 45.8 m -155.31 110.13 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -47.36 113.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -122.66 -55.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.67 96.96 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.337 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.14 2.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.39 136.98 23.09 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.6 11.77 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.532 ' CG ' HH21 ' B' ' 46' ' ' ARG . 0.5 OUTLIER -79.09 -34.18 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -76.03 -55.39 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.697 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.8 t -53.62 -24.87 15.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.576 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 1.7 tmm_? -76.47 -56.67 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 46' ' ' ARG . 0.7 OUTLIER -61.36 -12.4 13.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 1.079 ' CE2' HD22 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.645 HG11 ' O ' ' B' ' 62' ' ' GLU . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.517 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.645 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.85 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.474 ' H ' HD22 ' B' ' 64' ' ' LEU . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HB3' HD23 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 1.079 HD22 ' CE2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' B' ' 49' ' ' PHE . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.887 ' HB3' HD13 ' A' ' 89' ' ' LEU . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.733 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.031 HD11 HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.617 ' C ' HD13 ' B' ' 79' ' ' LEU . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.726 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.1 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.566 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.866 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.566 ' H ' HG23 ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.531 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CG2' HG21 ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.866 HD13 ' O ' ' B' ' 82' ' ' LYS . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.551 HD11 ' HE1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.464 ' HG3' HD21 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.467 ' HA ' HD22 ' B' ' 95' ' ' LEU . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.874 ' CE1' HG23 ' B' ' 118' ' ' VAL . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.756 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 1.032 HG21 ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.512 ' H ' HD13 ' B' ' 102' ' ' ILE . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' B' ' 120' ' ' LEU . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.532 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.874 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.504 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' B' ' 119' ' ' THR . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.542 ' O ' ' CA ' ' B' ' 127' ' ' ALA . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 0.1 OUTLIER -160.17 56.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' B' ' 130' ' ' LYS . . . -45.76 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 70.53 -60.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -73.15 -79.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' B' ' 127' ' ' ALA . 0.0 OUTLIER -74.83 139.77 73.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 143.71 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.67 77.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 103.71 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 11.9 p30 177.48 179.92 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 165.93 -55.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.435 1.756 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.99 142.35 43.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.54 3.98 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 170.33 38.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -72.29 -50.3 28.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 49' ' ' PHE . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.893 HG22 ' HB3' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.893 ' HB3' HG22 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.959 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.886 HD11 HG21 ' B' ' 97' ' ' ILE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.68 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.759 ' HB3' HD13 ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB2' HD21 ' B' ' 86' ' ' LEU . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.827 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.071 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.544 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 81' ' ' THR . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.596 ' OE1' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 1.099 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.938 HG12 HD23 ' B' ' 64' ' ' LEU . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.951 ' C ' HD22 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 1.028 ' O ' HG23 ' A' ' 97' ' ' ILE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.839 ' CE1' HG23 ' A' ' 118' ' ' VAL . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.951 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 1.028 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 121' ' ' VAL . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.73 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.603 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.425 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.737 ' HA ' HD13 ' A' ' 117' ' ' ILE . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.839 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.73 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.615 HG21 HD22 ' A' ' 98' ' ' LEU . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' OE1' ' CD ' ' A' ' 131' ' ' PRO . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.57 ' NE2' HG13 ' A' ' 121' ' ' VAL . 0.3 OUTLIER -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.759 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -47.39 178.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -121.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -151.99 101.51 2.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' CD ' ' OE1' ' A' ' 122' ' ' GLU . 18.0 Cg_endo -75.1 161.66 38.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.788 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' B' ' 36' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' B' ' 35' ' ' GLY . 0.5 OUTLIER 163.74 166.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 110.041 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 65.42 49.07 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 174.73 57.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.1 m 42.8 68.91 2.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.63 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -153.7 63.54 4.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -75.1 -33.3 4.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 1.2 tt0 81.07 2.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.26 -52.4 14.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.416 ' HA ' ' OG ' ' B' ' 48' ' ' SER . 22.4 m -66.6 -32.15 73.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' B' ' 51' ' ' ARG . 20.4 ttm180 -66.63 -39.23 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.08 -57.6 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' B' ' 45' ' ' CYS . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 90' ' ' VAL . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.87 HD11 HG21 ' A' ' 97' ' ' ILE . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.936 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.408 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.099 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.418 ' C ' HD12 ' B' ' 79' ' ' LEU . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.637 HG23 ' HB3' ' B' ' 83' ' ' GLU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.637 ' HB3' HG23 ' B' ' 81' ' ' THR . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 1.071 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.887 HD12 HG22 ' B' ' 85' ' ' ILE . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 64' ' ' LEU . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.854 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 67' ' ' LEU . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.947 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.854 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.586 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.959 HD11 ' HB1' ' A' ' 63' ' ' ALA . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.82 HD22 HG21 ' B' ' 121' ' ' VAL . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 117' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ARG . . . . . 0.859 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.557 HG22 ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 117' ' ' ILE . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.707 ' HA ' HD12 ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.727 ' HG2' HD12 ' B' ' 111' ' ' LEU . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.947 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.859 HD22 ' CB ' ' B' ' 105' ' ' ARG . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.82 HG21 HD22 ' B' ' 98' ' ' LEU . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' B' ' 127' ' ' ALA . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' B' ' 127' ' ' ALA . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 121' ' ' VAL . 0.3 OUTLIER -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 176.19 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' B' ' 123' ' ' ASP . . . 39.19 -144.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 t 76.83 55.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -93.39 139.14 31.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.84 147.03 38.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.0 167.43 22.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' O ' ' ND2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -151.11 56.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 37' ' ' LYS . 0.4 OUTLIER -175.26 119.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 109.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.59 39.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -121.54 166.01 17.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.27 10.97 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -89.73 10.37 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -76.02 -45.67 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.434 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB2' HD21 ' A' ' 67' ' ' LEU . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' HD1' HD12 ' B' ' 97' ' ' ILE . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.492 HG21 ' C ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' C ' HG21 ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 52' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.713 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.832 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.795 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.069 ' CD2' HD11 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' CB ' HG23 ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.833 ' O ' HD13 ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.938 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 1.069 HD11 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.954 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.772 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 96' ' ' THR . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.686 ' HB3' HD13 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.764 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 1.049 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.622 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.948 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.805 HG21 HD13 ' A' ' 98' ' ' LEU . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.652 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . 35.49 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.4 m -86.31 56.63 4.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -120.88 40.39 3.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.37 96.07 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 117.44 4.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.408 1.067 . . . . 0.0 109.22 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -136.68 56.04 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -146.71 127.17 14.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -160.69 -45.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -47.45 113.29 2.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.628 1.205 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 162.69 36.78 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -140.62 145.38 40.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.761 ' OE1' HD11 ' B' ' 111' ' ' LEU . 6.9 pm0 -141.62 45.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.732 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.6 OUTLIER -81.48 -59.33 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.732 ' N ' HD13 ' B' ' 44' ' ' LEU . 31.6 p -51.47 -29.83 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' B' ' 74' ' ' TRP . 36.0 mtt180 -77.98 -49.01 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -65.93 -11.44 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.601 ' HG3' HG23 ' A' ' 96' ' ' THR . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.817 ' HD2' HD21 ' B' ' 67' ' ' LEU . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.645 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.994 ' HA ' HD21 ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.687 ' O ' HG21 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.629 ' HA ' HG21 ' B' ' 57' ' ' VAL . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.994 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 61' ' ' GLN . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.622 ' O ' HD23 ' B' ' 70' ' ' LEU . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.817 HD21 ' HD2' ' B' ' 52' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.538 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 66' ' ' GLN . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.993 ' CD2' HD11 ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.659 ' C ' HD22 ' B' ' 79' ' ' LEU . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.659 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.457 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.726 HG23 ' H ' ' B' ' 83' ' ' GLU . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.526 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.726 ' H ' HG23 ' B' ' 81' ' ' THR . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.955 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.832 HD21 ' HB2' ' A' ' 72' ' ' ARG . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.993 HD11 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.668 ' OE1' HG21 ' B' ' 96' ' ' THR . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' B' ' 118' ' ' VAL . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.668 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.724 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.774 HD22 HG11 ' B' ' 121' ' ' VAL . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.73 HD12 ' N ' ' B' ' 103' ' ' GLN . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.73 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.678 ' O ' HD13 ' B' ' 111' ' ' LEU . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.761 HD11 ' OE1' ' B' ' 43' ' ' GLU . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.787 ' HA ' HD13 ' B' ' 117' ' ' ILE . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.774 HG11 HD22 ' B' ' 98' ' ' LEU . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 121' ' ' VAL . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.484 ' CD2' ' CE2' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 -108.95 -62.76 1.43 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 58.53 158.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.57 42.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.57 168.46 12.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 147.07 17.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.0 p -165.54 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.14 128.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 175.1 162.7 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.222 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.56 110.69 2.54 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.71 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -156.94 71.62 4.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -178.1 3.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.08 -2.49 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -75.28 -55.63 5.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.972 ' CB ' HG21 ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' HG21 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.814 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.886 ' HB3' HD13 ' B' ' 89' ' ' LEU . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' CG ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.609 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 88' ' ' LEU . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 77' ' ' PRO . 0.0 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.913 HG22 HD13 ' B' ' 75' ' ' LEU . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.919 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.877 ' CE1' HG23 ' A' ' 118' ' ' VAL . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.811 HD11 ' HB1' ' B' ' 63' ' ' ALA . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.979 HD13 HG21 ' A' ' 121' ' ' VAL . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.638 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.491 ' HE1' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.597 ' HA ' HD13 ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.877 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' LEU . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.77 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.7 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.77 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -53.99 131.04 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.57 33.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.15 -163.45 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.32 70.03 12.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.49 37.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 62.68 165.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.73 162.01 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -174.82 157.44 2.45 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 m -122.76 118.16 28.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 117.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.49 162.83 37.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.722 ' HB2' HH21 ' B' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.0 -25.28 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.7 tm? -75.67 -51.85 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.82 -23.36 66.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.722 HH21 ' HB2' ' B' ' 42' ' ' PRO . 6.2 mtm180 -73.73 -65.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.91 -11.04 44.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' B' ' 57' ' ' VAL . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.811 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 90' ' ' VAL . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.87 ' HB3' HD13 ' A' ' 89' ' ' LEU . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.991 HD22 HD12 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.699 ' O ' ' CE1' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.917 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.699 ' CE1' ' O ' ' B' ' 76' ' ' GLN . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.893 HG23 ' HD3' ' B' ' 82' ' ' LYS . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.893 ' HD3' HG23 ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 0.991 HD12 HD22 ' B' ' 75' ' ' LEU . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.801 ' HA ' HD11 ' B' ' 89' ' ' LEU . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.972 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.886 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.544 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.547 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.814 ' HB3' HD13 ' A' ' 67' ' ' LEU . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.907 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.779 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.671 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.972 HG21 ' CB ' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.847 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.847 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 112' ' ' MET . . . . . 0.441 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 113' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.435 ' HA ' HD13 ' B' ' 117' ' ' ILE . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.617 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.614 HG21 HD13 ' B' ' 98' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.75 -55.83 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 43.67 -154.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t 72.87 40.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.927 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.37 106.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -163.43 90.58 1.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 158.6 42.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.76 110.43 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -153.55 123.76 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.28 116.76 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -54.62 -54.63 46.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.94 140.03 25.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER 164.04 -52.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' ASP . 18.5 Cg_endo -74.99 55.0 3.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 171.3 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.49 -50.9 16.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CB ' HD21 ' A' ' 67' ' ' LEU . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.633 HG21 ' HB3' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 57' ' ' VAL . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.987 HD23 HG12 ' B' ' 90' ' ' VAL . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CB ' ' A' ' 52' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.924 ' HB3' HD13 ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HD21 ' B' ' 86' ' ' LEU . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.661 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 1.005 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.971 ' NE2' HG21 ' B' ' 85' ' ' ILE . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.667 HG22 ' OE1' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.667 ' OE1' HG22 ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.919 HD21 ' HB2' ' B' ' 72' ' ' ARG . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 1.03 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.89 HG12 HD23 ' B' ' 64' ' ' LEU . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.552 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PHE . . . . . 0.932 ' CE1' HG23 ' A' ' 118' ' ' VAL . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.874 HG21 HD11 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD11 ' CE1' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.695 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.492 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.801 ' CG2' HD12 ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 0.5 OUTLIER -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.853 HD13 HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.508 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.853 HG13 HD13 ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.932 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.733 HG12 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.733 ' CE1' HG12 ' A' ' 121' ' ' VAL . 0.7 OUTLIER -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 32.15 -102.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 13.3 t 40.29 67.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.091 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.7 OUTLIER 163.61 -168.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 129' ' ' LYS . 7.7 tttp 160.7 -50.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 130' ' ' LYS . 18.1 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.34 138.78 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -119.65 155.1 32.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -157.16 138.02 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -125.28 92.8 46.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.27 40.27 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . 0.502 ' CB ' ' HD3' ' B' ' 42' ' ' PRO . 0.4 OUTLIER -69.89 -52.75 12.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' B' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 108.55 2.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.576 1.829 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER 166.8 69.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.661 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.8 OUTLIER -73.92 -58.85 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 45' ' ' CYS . . . . . 0.661 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -70.46 -39.16 74.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' B' ' 50' ' ' ARG . 14.2 mtm180 -60.52 -38.2 83.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' B' ' 43' ' ' GLU . 9.2 tp60 -74.31 -45.95 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.608 ' CD1' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.707 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ALA . . . . . 0.707 ' HA ' HG23 ' B' ' 57' ' ' VAL . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' LEU . . . . . 0.89 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 97' ' ' ILE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HG3' HD23 ' A' ' 86' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 71' ' ' CYS . . . . . 0.657 ' CB ' HD13 ' A' ' 89' ' ' LEU . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 74' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 1.03 HD11 HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.705 ' HB2' HD11 ' A' ' 85' ' ' ILE . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' ILE . . . . . 1.005 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 86' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.67 HD11 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 89' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 90' ' ' VAL . . . . . 0.987 HG12 HD23 ' A' ' 64' ' ' LEU . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 91' ' ' MET . . . . . 0.931 ' C ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 92' ' ' GLU . . . . . 0.425 ' N ' HD22 ' B' ' 95' ' ' LEU . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 93' ' ' GLN . . . . . 0.653 ' O ' HG22 ' B' ' 96' ' ' THR . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 94' ' ' PHE . . . . . 0.773 ' CE1' HG23 ' B' ' 118' ' ' VAL . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' C ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 96' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ILE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 98' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ILE . . . . . 0.851 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 103' ' ' GLN . . . . . 0.851 ' H ' HD13 ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 106' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 103' ' ' GLN . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 111' ' ' LEU . . . . . 0.401 HD21 ' O ' ' B' ' 106' ' ' VAL . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 114' ' ' SER . . . . . 0.673 ' HA ' HD13 ' B' ' 117' ' ' ILE . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 118' ' ' VAL . . . . . 0.773 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LEU . . . . . 0.668 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 121' ' ' VAL . . . . . 0.655 HG21 HD22 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -59.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.59 -160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t 71.65 27.55 2.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.25 123.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.9 92.0 3.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 144.54 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.601 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' B' ' 97' ' ' ILE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.839 ' H ' HG22 ' B' ' 97' ' ' ILE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE1' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.586 HG21 ' C ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.714 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.586 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.74 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.881 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.639 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.024 HD23 ' HG ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 1.008 ' N ' HD13 ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.808 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.808 ' H ' HG23 ' A' ' 81' ' ' THR . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CD1' ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 75' ' ' LEU . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.024 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.65 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.132 ' CZ ' HD11 ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.948 HD11 ' HB1' ' B' ' 63' ' ' ALA . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.986 HD22 HG11 ' A' ' 121' ' ' VAL . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.735 HG22 ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.596 ' HA ' HG12 ' A' ' 106' ' ' VAL . 3.3 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.8 ' CG2' HD13 ' A' ' 111' ' ' LEU . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.986 HG11 HD22 ' A' ' 98' ' ' LEU . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.873 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.7 ' CZ ' HG12 ' A' ' 121' ' ' VAL . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.594 HG23 ' CB ' ' B' ' 62' ' ' GLU . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.594 ' CB ' HG23 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.948 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 1.132 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 93' ' ' GLN . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' B' ' 49' ' ' PHE . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.853 ' HB3' HD13 ' A' ' 89' ' ' LEU . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 7.8 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.492 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.602 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.583 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.602 ' H ' HG23 ' B' ' 81' ' ' THR . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.42 ' O ' HD22 ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.683 ' O ' HG23 ' B' ' 90' ' ' VAL . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 1.032 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.968 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.68 ' CE ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' B' ' 91' ' ' MET . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.078 ' CE1' HD11 ' B' ' 98' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 93' ' ' GLN . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.839 HG22 ' H ' ' A' ' 53' ' ' CYS . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.078 HD11 ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.905 ' HA ' HD21 ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.764 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.563 ' CB ' HD13 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 102' ' ' ILE . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.629 ' N ' HG23 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 3.9 t-160 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.698 HD23 ' HB2' ' B' ' 103' ' ' GLN . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' B' ' 102' ' ' ILE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.943 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.7 HG11 ' OH ' ' A' ' 54' ' ' TYR . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.2 m170 -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 20.3 ttt180 . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.436 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.855 ' HB2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.762 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.597 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 63' ' ' ALA . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.574 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.812 ' O ' HG11 ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.671 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.928 HD13 ' HG3' ' B' ' 93' ' ' GLN . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.741 ' HB2' HD13 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.762 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.762 ' H ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.944 HG22 HD13 ' B' ' 75' ' ' LEU . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.647 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.74 ' O ' HG22 ' A' ' 96' ' ' THR . 12.6 tp60 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 118' ' ' VAL . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.995 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.78 HD12 ' CE2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 121' ' ' VAL . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 102' ' ' ILE . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.578 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.564 ' HE2' ' C ' ' A' ' 110' ' ' CYS . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' SER . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.984 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.853 ' N ' HD13 ' A' ' 120' ' ' LEU . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.737 ' CE1' HG13 ' A' ' 121' ' ' VAL . 13.1 m170 -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.639 HE21 HH21 ' B' ' 50' ' ' ARG . 2.4 tt0 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.639 HH21 HE21 ' B' ' 47' ' ' GLN . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.78 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.519 HG21 ' C ' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.434 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.937 ' O ' HD12 ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.519 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.653 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.937 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 70' ' ' LEU . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' B' ' 52' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.526 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 66' ' ' GLN . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 89' ' ' LEU . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.944 HD13 HG22 ' A' ' 85' ' ' ILE . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.724 ' C ' HD22 ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.799 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.757 ' O ' HD13 ' B' ' 86' ' ' LEU . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.799 ' H ' HG23 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 88' ' ' LEU . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.938 HG12 HG21 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 90' ' ' VAL . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.609 HD22 ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 86' ' ' LEU . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.916 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.604 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.928 ' HG3' HD13 ' A' ' 67' ' ' LEU . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.232 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.916 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.565 HG22 ' O ' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.79 HD11 ' CE1' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.715 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.715 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.7 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' B' ' 103' ' ' GLN . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.448 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.4 ' HG2' HG23 ' B' ' 106' ' ' VAL . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.505 ' O ' HD12 ' B' ' 117' ' ' ILE . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.673 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 1.232 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.562 HG21 HD13 ' B' ' 98' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 20.9 m170 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.705 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.705 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' O ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.061 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD12 ' A' ' 79' ' ' LEU . 13.2 m170 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 83' ' ' GLU . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.812 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.571 ' H ' HG23 ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.578 ' CD ' ' CD2' ' A' ' 80' ' ' HIS . 6.9 mm-40 -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.641 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.921 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.782 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' LEU . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.82 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.521 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.735 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.052 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.915 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' HD12 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.801 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.801 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.979 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 106' ' ' VAL . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 106' ' ' VAL . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.724 ' HA ' HD23 ' A' ' 120' ' ' LEU . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 1.052 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.979 HD22 ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.846 HG21 HD13 ' A' ' 98' ' ' LEU . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.753 ' CE1' HG13 ' A' ' 121' ' ' VAL . 16.6 m170 -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.425 ' H ' HG22 ' A' ' 97' ' ' ILE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' B' ' 66' ' ' GLN . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.576 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.549 ' O ' HG11 ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' HD13 ' B' ' 64' ' ' LEU . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.781 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.612 ' HG3' HG12 ' B' ' 57' ' ' VAL . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 93' ' ' GLN . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.843 ' HB3' HD13 ' A' ' 89' ' ' LEU . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.624 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.2 m170 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.692 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.665 ' H ' HG23 ' B' ' 81' ' ' THR . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.841 HG22 HD13 ' A' ' 75' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' B' ' 89' ' ' LEU . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.55 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LEU . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.471 ' O ' HD13 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.452 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.683 ' O ' HG22 ' B' ' 96' ' ' THR . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.791 ' CE1' HG23 ' B' ' 118' ' ' VAL . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.73 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.848 HD13 HG21 ' B' ' 121' ' ' VAL . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.63 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.505 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' B' ' 111' ' ' LEU . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.591 ' HA ' HD13 ' B' ' 117' ' ' ILE . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.672 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.791 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.848 HG21 HD13 ' B' ' 98' ' ' LEU . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.666 ' NE2' HG13 ' B' ' 121' ' ' VAL . 15.7 m170 -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.6 tm? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.692 ' HD2' HG21 ' B' ' 97' ' ' ILE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.621 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.874 ' HB3' HD13 ' B' ' 89' ' ' LEU . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NE ' HD23 ' B' ' 86' ' ' LEU . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.673 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.016 HD11 HD21 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.703 ' C ' HD12 ' A' ' 85' ' ' ILE . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.853 ' O ' HD22 ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.869 HG12 HD13 ' A' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.057 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 1.122 HG22 ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.748 ' HG3' HD11 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.797 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.941 ' CE1' HG23 ' A' ' 118' ' ' VAL . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.84 HD11 ' HB1' ' B' ' 63' ' ' ALA . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.847 ' HA ' HD21 ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.634 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HD3' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 102' ' ' ILE . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.941 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.847 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.413 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.735 ' CE1' HG13 ' A' ' 121' ' ' VAL . 20.7 m170 -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.413 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.717 ' HD1' HD12 ' A' ' 97' ' ' ILE . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.765 HG23 ' O ' ' B' ' 59' ' ' GLY . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.812 ' O ' HD12 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.578 ' C ' HG21 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.84 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.812 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 93' ' ' GLN . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 1.122 ' HA ' HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.488 HE21 HD23 ' B' ' 70' ' ' LEU . 2.6 pt20 -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' B' ' 49' ' ' PHE . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.721 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.057 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.597 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.836 ' H ' HG23 ' B' ' 81' ' ' THR . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.785 HG22 ' CD1' ' A' ' 75' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.569 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.492 ' HA ' HD22 ' B' ' 95' ' ' LEU . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.888 ' O ' HG22 ' B' ' 96' ' ' THR . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.788 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.888 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' B' ' 102' ' ' ILE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.401 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' B' ' 120' ' ' LEU . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.642 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.62 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' ARG . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.455 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.692 HG23 ' HG ' ' B' ' 111' ' ' LEU . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.543 ' N ' HG13 ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.947 HD13 HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' HD12 ' B' ' 117' ' ' ILE . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.947 HG12 HD13 ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.7 m170 -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 1.102 ' CG ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.75 ' CE2' HD13 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.499 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CG ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.856 HD23 HG12 ' B' ' 90' ' ' VAL . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 HG21 ' B' ' 97' ' ' ILE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.102 HD22 ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.684 ' SG ' HD13 ' B' ' 89' ' ' LEU . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.817 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 78' ' ' GLU . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 82' ' ' LYS . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.912 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.408 ' OE1' ' ND1' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.884 HG22 HD13 ' B' ' 75' ' ' LEU . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 82' ' ' LYS . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.074 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 86' ' ' LEU . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.75 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.869 ' O ' HG22 ' A' ' 96' ' ' THR . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.673 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.917 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.79 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 102' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 98' ' ' LEU . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.68 ' HA ' HD13 ' A' ' 117' ' ' ILE . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.673 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.71 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.961 ' CD1' HD11 ' B' ' 70' ' ' LEU . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.461 ' HD1' HD12 ' A' ' 97' ' ' ILE . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.456 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.79 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' B' ' 68' ' ' ARG . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 97' ' ' ILE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.961 HD11 ' CD1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.407 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.074 ' CD1' HD21 ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.963 ' HB3' HG22 ' B' ' 81' ' ' THR . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 1.7 m170 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.963 HG22 ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.809 ' HB2' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.735 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.856 HG12 HD23 ' A' ' 64' ' ' LEU . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.557 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.975 ' O ' HG22 ' B' ' 96' ' ' THR . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.098 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.699 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.975 HG22 ' O ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.75 HD13 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.098 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.795 ' HG3' HD11 ' B' ' 120' ' ' LEU . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.765 HG22 HD21 ' B' ' 120' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.762 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 102' ' ' ILE . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.414 ' HE3' ' HB2' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.679 HD12 ' H ' ' B' ' 117' ' ' ILE . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.846 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.795 HD11 ' HG3' ' B' ' 101' ' ' GLU . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 1.065 HG21 HD13 ' B' ' 98' ' ' LEU . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' B' ' 121' ' ' VAL . 23.0 m170 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.678 ' HG2' HD21 ' A' ' 67' ' ' LEU . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.603 HG21 ' C ' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.603 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.638 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.678 HD21 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.718 ' HA ' HG21 ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.928 ' HB3' HD13 ' B' ' 89' ' ' LEU . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.972 ' CZ2' HD11 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.983 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.708 ' N ' HD12 ' A' ' 79' ' ' LEU . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.792 ' H ' HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.953 ' CG1' HG21 ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' MET . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.972 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.046 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.663 ' HG3' HD21 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.513 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.966 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 118' ' ' VAL . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 93' ' ' GLN . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' CD2' ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.664 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.687 ' SD ' HG13 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.51 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.81 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.947 ' CD2' HG23 ' A' ' 106' ' ' VAL . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 117' ' ' ILE . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.59 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.571 HG21 ' HA ' ' B' ' 63' ' ' ALA . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.54 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.68 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' B' ' 49' ' ' PHE . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.51 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' B' ' 49' ' ' PHE . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.856 ' HB3' HD13 ' A' ' 89' ' ' LEU . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.759 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.552 ' N ' HD12 ' B' ' 79' ' ' LEU . 13.4 m170 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 83' ' ' GLU . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.821 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.813 ' H ' HG23 ' B' ' 81' ' ' THR . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.953 HG21 ' CG1' ' A' ' 85' ' ' ILE . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.887 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.939 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.887 HG23 ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.677 ' HB3' HD21 ' A' ' 67' ' ' LEU . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.796 ' CE1' HG23 ' B' ' 118' ' ' VAL . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.638 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.538 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.816 HD13 ' HB3' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.64 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' B' ' 120' ' ' LEU . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 5.5 t-160 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.484 ' N ' ' CD2' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.492 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.609 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.8 m170 -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.628 ' H ' HG22 ' B' ' 97' ' ' ILE . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HD1' HD12 ' B' ' 97' ' ' ILE . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.711 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.808 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.668 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.536 ' H ' HD22 ' A' ' 64' ' ' LEU . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' B' ' 93' ' ' GLN . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.976 ' HB3' HD13 ' B' ' 89' ' ' LEU . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.676 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.105 HD11 HD21 ' B' ' 89' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.594 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.594 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.732 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.732 ' H ' HG23 ' A' ' 81' ' ' THR . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.738 ' CG2' HG21 ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.973 HD11 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.87 HG12 HD23 ' B' ' 64' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.888 ' O ' HD22 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.99 ' CE1' HG23 ' A' ' 118' ' ' VAL . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.823 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 121' ' ' VAL . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.851 ' CB ' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.551 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 117' ' ' ILE . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 103' ' ' GLN . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.504 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.639 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.99 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.998 HG21 HD13 ' A' ' 98' ' ' LEU . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.2 m170 -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.487 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.615 ' CD2' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.591 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.87 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 93' ' ' GLN . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.734 ' HB3' HD13 ' A' ' 89' ' ' LEU . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.858 ' CZ2' HD11 ' B' ' 88' ' ' LEU . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.973 HD11 HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.742 HD13 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.647 ' O ' HD13 ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.461 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.738 HG21 ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.834 ' O ' HD12 ' B' ' 89' ' ' LEU . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.858 HD11 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.851 ' O ' HG22 ' B' ' 96' ' ' THR . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.808 HD11 ' HB1' ' A' ' 63' ' ' ALA . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.085 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.837 HG21 HD13 ' B' ' 98' ' ' LEU . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.826 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.457 ' HD2' HD22 ' B' ' 120' ' ' LEU . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.654 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.454 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.789 ' N ' HD13 ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.97 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.689 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.799 HG12 ' CE1' ' B' ' 125' ' ' HIS . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.799 ' CE1' HG12 ' B' ' 121' ' ' VAL . 2.2 m170 -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.718 ' CD2' HD13 ' B' ' 97' ' ' ILE . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' CE2' ' A' ' 54' ' ' TYR . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.56 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.662 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 49' ' ' PHE . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.832 ' HB3' HD13 ' B' ' 89' ' ' LEU . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.697 ' HG2' HD23 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.57 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.086 HD12 HD12 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.572 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.882 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 68' ' ' ARG . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.788 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.472 ' CA ' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.791 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' A' ' 118' ' ' VAL . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.657 HG23 ' HG3' ' B' ' 51' ' ' ARG . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.687 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.689 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.551 ' CB ' HD22 ' A' ' 120' ' ' LEU . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 103' ' ' GLN . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 6.5 t60 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.575 ' HB3' HD13 ' A' ' 111' ' ' LEU . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.583 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.907 HG21 ' HA ' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.643 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.771 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.643 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.587 0.232 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.791 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.657 ' HG3' HG23 ' A' ' 96' ' ' THR . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 1.253 ' CE1' HD22 ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.633 HG11 ' O ' ' B' ' 62' ' ' GLU . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.907 ' HA ' HG21 ' A' ' 118' ' ' VAL . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.633 ' O ' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.649 ' N ' HD13 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 1.253 HD22 ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.575 ' HA ' HG22 ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.616 HD12 ' HZ ' ' B' ' 52' ' ' PHE . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.784 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.886 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.989 ' O ' HD22 ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.989 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.816 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.914 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.816 ' H ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.805 HG21 HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 1.086 HD12 HD12 ' A' ' 75' ' ' LEU . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 91' ' ' MET . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.817 ' O ' HD22 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.489 ' CA ' HD22 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.798 ' CE1' HG23 ' B' ' 118' ' ' VAL . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.907 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.81 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.81 HG21 ' CD1' ' B' ' 98' ' ' LEU . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.498 ' H ' HD13 ' B' ' 102' ' ' ILE . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 102' ' ' ILE . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.566 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.575 HD22 ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.501 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.527 ' HA ' HD13 ' B' ' 117' ' ' ILE . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.654 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.798 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.667 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.667 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.6 m170 -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 44' ' ' LEU . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CB ' HD21 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CA ' HD12 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB3' HG11 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.643 HD11 HG21 ' B' ' 97' ' ' ILE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' B' ' 89' ' ' LEU . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.805 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.007 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.689 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.882 HG21 HG12 ' B' ' 85' ' ' ILE . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.967 HD22 HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.051 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.951 ' O ' HG22 ' A' ' 96' ' ' THR . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.157 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 54' ' ' TYR . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.859 HG21 HD13 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.661 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' A' ' 111' ' ' LEU . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 106' ' ' VAL . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' B' ' 60' ' ' PRO . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.7 m170 -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.908 ' CZ ' HG13 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 97' ' ' ILE . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.874 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.582 ' O ' HD22 ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.487 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.77 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.414 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.883 HD22 ' HG2' ' A' ' 93' ' ' GLN . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.803 ' HB3' HD13 ' A' ' 89' ' ' LEU . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.672 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.536 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.92 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.051 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.516 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.516 ' N ' HD12 ' B' ' 79' ' ' LEU . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.654 HG23 ' H ' ' B' ' 83' ' ' GLU . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.675 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.654 ' H ' HG23 ' B' ' 81' ' ' THR . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.882 HG12 HG21 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' B' ' 89' ' ' LEU . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.89 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.007 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 86' ' ' LEU . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.499 ' HG3' HD21 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.86 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.86 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.8 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.899 HD13 HG21 ' B' ' 121' ' ' VAL . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.497 ' N ' HD12 ' B' ' 102' ' ' ILE . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.634 ' O ' HD21 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.683 HG22 HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.683 HD11 HG22 ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.537 ' HA ' HD13 ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.759 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.571 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.899 HG21 HD13 ' B' ' 98' ' ' LEU . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.649 ' NE2' HG12 ' B' ' 121' ' ' VAL . 14.0 m170 -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.545 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.524 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD13 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.728 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.853 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.728 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.964 HD13 ' HG3' ' B' ' 93' ' ' GLN . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.729 ' HB2' HD13 ' B' ' 89' ' ' LEU . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' B' ' 89' ' ' LEU . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.716 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' B' ' 85' ' ' ILE . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.819 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.655 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.643 ' O ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.836 ' CE1' HG23 ' A' ' 118' ' ' VAL . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.767 HD12 ' HD1' ' B' ' 54' ' ' TYR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.907 ' HB ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.624 ' H ' HD13 ' A' ' 102' ' ' ILE . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.665 ' N ' HG13 ' A' ' 106' ' ' VAL . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.55 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 113' ' ' SER . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.836 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.907 HD21 ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.7 m170 -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.615 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.767 ' HD1' HD12 ' A' ' 97' ' ' ILE . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.436 ' HA ' HG21 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.525 ' CB ' HG21 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 52' ' ' PHE . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 1.068 ' HB3' HD13 ' A' ' 89' ' ' LEU . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.652 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' B' ' 84' ' ' GLN . 0.6 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.648 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.612 ' O ' HD22 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.648 ' H ' HG23 ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.577 ' HB3' ' CD2' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.954 ' O ' HD12 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.954 HD12 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 68' ' ' ARG . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.931 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 96' ' ' THR . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.964 ' HG3' HD13 ' A' ' 67' ' ' LEU . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.964 ' CE1' HG23 ' B' ' 118' ' ' VAL . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.443 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 93' ' ' GLN . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.704 HD12 ' CG2' ' B' ' 102' ' ' ILE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.651 ' OE1' HG13 ' B' ' 121' ' ' VAL . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.704 ' CG2' HD12 ' B' ' 98' ' ' LEU . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' GLU . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.6 HG13 ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.57 ' N ' HD23 ' B' ' 111' ' ' LEU . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.543 ' HE3' ' HG2' ' B' ' 116' ' ' GLU . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.964 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.667 HG12 ' NE2' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.667 ' NE2' HG12 ' B' ' 121' ' ' VAL . 17.1 m170 -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.819 ' HG3' HG21 ' B' ' 96' ' ' THR . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.83 ' HB3' HG21 ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.637 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.641 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.065 HD21 HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.826 ' HB3' HD13 ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.944 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 1.021 ' N ' HD13 ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.709 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG23 ' A' ' 81' ' ' THR . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 88' ' ' LEU . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 82' ' ' LYS . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.695 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.609 ' OE1' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 118' ' ' VAL . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.669 HG22 ' H ' ' B' ' 53' ' ' CYS . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 102' ' ' ILE . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.424 ' C ' HG12 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.697 ' HA ' HD13 ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.799 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.61 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.669 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.623 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 89' ' ' LEU . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.018 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.883 ' O ' HD22 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.686 HG23 ' H ' ' B' ' 83' ' ' GLU . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.745 ' O ' HD13 ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.686 ' H ' HG23 ' B' ' 81' ' ' THR . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.483 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.944 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 86' ' ' LEU . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.794 ' O ' HD22 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 93' ' ' GLN . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.791 ' O ' HG22 ' B' ' 96' ' ' THR . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.794 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.819 HG21 ' HG3' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.927 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.806 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.806 ' H ' HD13 ' B' ' 102' ' ' ILE . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' B' ' 111' ' ' LEU . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.625 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.608 ' CE ' HD11 ' B' ' 117' ' ' ILE . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.743 ' HA ' HD12 ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 1.065 HG21 HD21 ' A' ' 64' ' ' LEU . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.778 HG21 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.4 m170 -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' GLN . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.839 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.492 ' H ' HG22 ' B' ' 97' ' ' ILE . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' A' ' 60' ' ' PRO . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.731 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.731 ' C ' HG21 ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 1.036 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.769 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.687 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.839 HD22 ' CB ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.961 ' HB3' HD13 ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.572 ' C ' ' CD1' ' A' ' 74' ' ' TRP . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.99 HD11 HD21 ' B' ' 89' ' ' LEU . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.62 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.806 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' HG23 ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.961 HG22 HD13 ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.769 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.678 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.774 ' CE1' HG23 ' A' ' 118' ' ' VAL . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.766 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 121' ' ' VAL . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.594 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' C ' ' A' ' 103' ' ' GLN . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 116' ' ' GLU . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 117' ' ' ILE . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.799 ' HB3' HD13 ' A' ' 111' ' ' LEU . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 111' ' ' LEU . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.774 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.76 HG21 HD13 ' A' ' 98' ' ' LEU . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.762 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.641 ' NE2' HG13 ' A' ' 121' ' ' VAL . 13.6 m170 -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.746 ' HZ ' HG22 ' B' ' 57' ' ' VAL . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.746 HG22 ' HZ ' ' B' ' 52' ' ' PHE . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.609 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.614 ' C ' HG21 ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.67 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.678 ' HB3' HD13 ' A' ' 89' ' ' LEU . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.837 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.98 HD23 ' HG ' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.542 ' HG3' HD11 ' B' ' 85' ' ' ILE . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.738 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.738 ' H ' HG23 ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.644 HG12 HG21 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.669 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.98 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 86' ' ' LEU . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.883 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 1.008 ' O ' HG22 ' B' ' 96' ' ' THR . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.185 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 1.008 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 1.036 HD11 ' HB1' ' A' ' 63' ' ' ALA . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.185 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.84 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.84 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.512 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.422 ' HA ' HD13 ' B' ' 117' ' ' ILE . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.417 ' CG ' ' HE1' ' B' ' 112' ' ' MET . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.646 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.646 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.646 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 8.7 m170 -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.8 tm? . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 1.204 ' CE1' HD11 ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.69 ' HA ' HG22 ' B' ' 97' ' ' ILE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.753 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.676 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.801 ' HA ' HD21 ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.753 ' C ' HG21 ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 57' ' ' VAL . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.801 HD21 ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.204 HD11 ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.837 ' HB3' HD13 ' B' ' 89' ' ' LEU . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.858 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.102 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.55 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.851 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.006 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.934 HD21 HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.893 ' C ' HD22 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.3 tp60 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.111 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.893 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.111 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 120' ' ' LEU . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.978 ' O ' HG13 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.823 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.637 ' CE ' HD11 ' A' ' 117' ' ' ILE . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.789 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.873 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 1.005 HG21 HD13 ' A' ' 98' ' ' LEU . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.706 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 18.6 m170 -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.722 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.81 ' HA ' HD21 ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 93' ' ' GLN . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.728 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.608 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.934 HD21 HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.816 HD21 ' O ' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.743 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.814 HE21 HD22 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 85' ' ' ILE . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.866 ' HA ' HD11 ' B' ' 89' ' ' LEU . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.102 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.468 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.66 ' HA ' HD22 ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 1.001 ' O ' HG22 ' B' ' 96' ' ' THR . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.025 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 1.001 HG22 ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.983 HG21 ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.025 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 1.0 ' HB3' HD11 ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.869 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.503 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.769 ' C ' HD22 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.647 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 1.0 HD11 ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.612 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.632 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HA ' HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.67 ' CB ' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.799 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.657 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 52' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.664 ' CB ' HD13 ' B' ' 89' ' ' LEU . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.032 HD11 HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.516 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.048 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.797 HD12 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.677 HD11 HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.877 HG12 HD23 ' B' ' 64' ' ' LEU . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.741 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.892 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.856 ' CE1' HG23 ' A' ' 118' ' ' VAL . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.973 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.453 ' HG3' HD11 ' A' ' 120' ' ' LEU . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.86 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.86 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 102' ' ' ILE . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.657 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HB2' ' HE2' ' A' ' 112' ' ' MET . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.509 HG23 ' HB ' ' A' ' 102' ' ' ILE . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.856 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.592 ' N ' HG12 ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.891 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.426 ' C ' ' HG2' ' B' ' 50' ' ' ARG . 47.0 tt0 . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.342 -0.244 . . . . 0.0 110.342 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.679 ' HZ ' HG13 ' B' ' 57' ' ' VAL . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.632 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.693 ' HD1' HD12 ' A' ' 97' ' ' ILE . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.626 ' HB2' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.679 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.437 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.464 ' C ' HG21 ' B' ' 57' ' ' VAL . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.973 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 90' ' ' VAL . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' B' ' 52' ' ' PHE . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.56 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.963 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.823 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.735 HG23 ' HB2' ' B' ' 83' ' ' GLU . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.514 ' HB2' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.735 ' HB2' HG23 ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 72' ' ' ARG . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.568 HD22 HD22 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 64' ' ' LEU . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.721 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.627 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' B' ' 118' ' ' VAL . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.492 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.799 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.779 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.552 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' B' ' 112' ' ' MET . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.854 ' HG2' HG22 ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.535 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.896 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.657 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.657 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.1 m170 -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.4 tm? . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 44' ' ' LEU . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 1.038 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CA ' HD12 ' B' ' 97' ' ' ILE . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HG2' HD13 ' A' ' 64' ' ' LEU . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.54 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.925 HD23 HG12 ' B' ' 90' ' ' VAL . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.038 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' B' ' 89' ' ' LEU . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 86' ' ' LEU . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.669 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.885 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.769 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.73 ' H ' HG23 ' A' ' 81' ' ' THR . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.971 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.855 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.476 ' CA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.934 ' O ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.934 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.951 HD11 ' HB1' ' B' ' 63' ' ' ALA . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.939 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.433 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.758 ' HB3' HD11 ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.536 ' HA ' HG12 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 103' ' ' GLN . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.8 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.633 ' CA ' ' HB2' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.653 ' NE2' HG13 ' A' ' 121' ' ' VAL . 18.9 m170 -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB2' ' CA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.782 ' CB ' HD21 ' B' ' 67' ' ' LEU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.702 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' A' ' 97' ' ' ILE . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.66 HG21 ' C ' ' B' ' 62' ' ' GLU . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.66 ' C ' HG21 ' B' ' 57' ' ' VAL . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.951 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.909 HD23 HG12 ' A' ' 90' ' ' VAL . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.782 HD21 ' CB ' ' B' ' 52' ' ' PHE . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.976 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CE ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 1.023 HD13 ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 1.023 ' N ' HD13 ' B' ' 79' ' ' LEU . 4.7 m170 -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.685 ' H ' HG23 ' B' ' 81' ' ' THR . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 88' ' ' LEU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.848 HG21 HG12 ' A' ' 85' ' ' ILE . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.885 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.998 HG22 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.813 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 91' ' ' MET . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.971 ' O ' HG22 ' B' ' 96' ' ' THR . 12.0 mm100 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 1.122 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.82 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.971 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.805 HG21 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 1.122 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.788 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.515 ' HB3' HD11 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' B' ' 111' ' ' LEU . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.547 HD13 HG13 ' B' ' 117' ' ' ILE . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.56 HD12 ' H ' ' B' ' 117' ' ' ILE . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.642 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.796 HG12 ' NE2' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.796 ' NE2' HG12 ' B' ' 121' ' ' VAL . 11.3 m170 -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 1.032 ' CB ' HG21 ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' O ' ' A' ' 62' ' ' GLU . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.692 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.69 ' O ' HG11 ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.768 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.579 ' HG3' HG11 ' B' ' 90' ' ' VAL . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.821 ' HB3' HD13 ' B' ' 89' ' ' LEU . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.604 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 m170 -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.756 ' H ' HG23 ' A' ' 81' ' ' THR . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.893 HG21 ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.617 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.031 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' HD11 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' HD22 ' A' ' 95' ' ' LEU . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.911 ' O ' HG22 ' A' ' 96' ' ' THR . 7.9 tp-100 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 1.159 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.672 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 1.159 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 103' ' ' GLN . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.752 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.753 ' HA ' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.647 HD12 ' H ' ' A' ' 117' ' ' ILE . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.853 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.681 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.313 -0.255 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 1.079 ' CE2' HD22 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.645 HG11 ' O ' ' B' ' 62' ' ' GLU . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.517 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.645 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.85 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.474 ' H ' HD22 ' B' ' 64' ' ' LEU . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HB3' HD23 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 1.079 HD22 ' CE2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' B' ' 49' ' ' PHE . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.887 ' HB3' HD13 ' A' ' 89' ' ' LEU . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.733 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.031 HD11 HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.617 ' C ' HD13 ' B' ' 79' ' ' LEU . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.726 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.4 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.566 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.866 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.566 ' H ' HG23 ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.531 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CG2' HG21 ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.866 HD13 ' O ' ' B' ' 82' ' ' LYS . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.551 HD11 ' HE1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.464 ' HG3' HD21 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.467 ' HA ' HD22 ' B' ' 95' ' ' LEU . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.874 ' CE1' HG23 ' B' ' 118' ' ' VAL . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.756 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 1.032 HG21 ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.512 ' H ' HD13 ' B' ' 102' ' ' ILE . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' B' ' 120' ' ' LEU . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.532 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.874 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.504 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' B' ' 125' ' ' HIS . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' B' ' 125' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 49' ' ' PHE . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.421 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.893 HG22 ' HB3' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.893 ' HB3' HG22 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.959 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.828 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.886 HD11 HG21 ' B' ' 97' ' ' ILE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.68 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.759 ' HB3' HD13 ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB2' HD21 ' B' ' 86' ' ' LEU . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.827 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.071 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.544 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 81' ' ' THR . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.596 ' OE1' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 1.099 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.938 HG12 HD23 ' B' ' 64' ' ' LEU . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.951 ' C ' HD22 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 1.028 ' O ' HG23 ' A' ' 97' ' ' ILE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.839 ' CE1' HG23 ' A' ' 118' ' ' VAL . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.951 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 1.028 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 121' ' ' VAL . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.73 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.603 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.425 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.737 ' HA ' HD13 ' A' ' 117' ' ' ILE . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.839 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.73 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.77 HG13 ' CE1' ' A' ' 125' ' ' HIS . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.77 ' CE1' HG13 ' A' ' 121' ' ' VAL . 14.1 m170 -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.759 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 90' ' ' VAL . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.87 HD11 HG21 ' A' ' 97' ' ' ILE . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.936 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.408 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.099 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.418 ' C ' HD12 ' B' ' 79' ' ' LEU . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.637 HG23 ' HB3' ' B' ' 83' ' ' GLU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.637 ' HB3' HG23 ' B' ' 81' ' ' THR . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 1.071 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.887 HD12 HG22 ' B' ' 85' ' ' ILE . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 64' ' ' LEU . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.854 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 67' ' ' LEU . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.947 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.854 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.586 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.959 HD11 ' HB1' ' A' ' 63' ' ' ALA . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.82 HD22 HG21 ' B' ' 121' ' ' VAL . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 117' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . 0.859 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.557 HG22 ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 117' ' ' ILE . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.707 ' HA ' HD12 ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.727 ' HG2' HD12 ' B' ' 111' ' ' LEU . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.947 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.859 HD22 ' CB ' ' B' ' 105' ' ' ARG . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.82 HG21 HD22 ' B' ' 98' ' ' LEU . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 121' ' ' VAL . 20.8 m170 -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.637 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.434 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB2' HD21 ' A' ' 67' ' ' LEU . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.677 ' HD1' HD12 ' B' ' 97' ' ' ILE . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.492 HG21 ' C ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' C ' HG21 ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 52' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.713 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.832 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.795 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.069 ' CD2' HD11 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.56 ' CB ' HG23 ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.833 ' O ' HD13 ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.938 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 1.069 HD11 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.954 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.772 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 96' ' ' THR . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.686 ' HB3' HD13 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.405 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.764 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 1.049 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.622 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.948 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.805 HG21 HD13 ' A' ' 98' ' ' LEU . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.0 m170 -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.601 ' HG3' HG23 ' A' ' 96' ' ' THR . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.817 ' HD2' HD21 ' B' ' 67' ' ' LEU . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.645 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.994 ' HA ' HD21 ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.687 ' O ' HG21 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.629 ' HA ' HG21 ' B' ' 57' ' ' VAL . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.994 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 61' ' ' GLN . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.622 ' O ' HD23 ' B' ' 70' ' ' LEU . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.817 HD21 ' HD2' ' B' ' 52' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.538 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 66' ' ' GLN . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.993 ' CD2' HD11 ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.659 ' C ' HD22 ' B' ' 79' ' ' LEU . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.659 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.457 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.726 HG23 ' H ' ' B' ' 83' ' ' GLU . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.526 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.726 ' H ' HG23 ' B' ' 81' ' ' THR . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.955 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.832 HD21 ' HB2' ' A' ' 72' ' ' ARG . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.993 HD11 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.668 ' OE1' HG21 ' B' ' 96' ' ' THR . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' B' ' 118' ' ' VAL . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.668 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.724 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.774 HD22 HG11 ' B' ' 121' ' ' VAL . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.73 HD12 ' N ' ' B' ' 103' ' ' GLN . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.73 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.678 ' O ' HD13 ' B' ' 111' ' ' LEU . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' B' ' 108' ' ' HIS . 2.5 t-160 -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.678 HD13 ' O ' ' B' ' 106' ' ' VAL . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.787 ' HA ' HD13 ' B' ' 117' ' ' ILE . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.774 HG11 HD22 ' B' ' 98' ' ' LEU . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 121' ' ' VAL . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 0.5 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 . . . . . 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.972 ' CB ' HG21 ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' HG21 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.814 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.886 ' HB3' HD13 ' B' ' 89' ' ' LEU . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.534 ' CG ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.609 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 88' ' ' LEU . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CD2' ' N ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.913 HG22 HD13 ' B' ' 75' ' ' LEU . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.919 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.877 ' CE1' HG23 ' A' ' 118' ' ' VAL . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.811 HD11 ' HB1' ' B' ' 63' ' ' ALA . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.979 HD13 HG21 ' A' ' 121' ' ' VAL . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.638 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 109' ' ' ARG . 14.9 t60 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.441 ' H ' ' CD2' ' A' ' 108' ' ' HIS . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.491 ' HE1' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.597 ' HA ' HD13 ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.877 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' LEU . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.77 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.0 m170 -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.77 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' B' ' 57' ' ' VAL . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.811 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 90' ' ' VAL . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.87 ' HB3' HD13 ' A' ' 89' ' ' LEU . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.991 HD22 HD12 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.628 ' O ' ' CD2' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.917 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.744 ' H ' ' CD2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.893 HG23 ' HD3' ' B' ' 82' ' ' LYS . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.893 ' HD3' HG23 ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 0.991 HD12 HD22 ' B' ' 75' ' ' LEU . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.801 ' HA ' HD11 ' B' ' 89' ' ' LEU . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.972 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.886 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.544 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.547 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.814 ' HB3' HD13 ' A' ' 67' ' ' LEU . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.907 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.779 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.671 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.972 HG21 ' CB ' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.847 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.847 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' B' ' 108' ' ' HIS . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' B' ' 104' ' ' ALA . 38.3 m-70 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . 0.441 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.435 ' HA ' HD13 ' B' ' 117' ' ' ILE . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.617 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.614 HG21 HD13 ' B' ' 98' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.5 m170 -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CB ' HD21 ' A' ' 67' ' ' LEU . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.633 HG21 ' HB3' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 57' ' ' VAL . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.987 HD23 HG12 ' B' ' 90' ' ' VAL . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CB ' ' A' ' 52' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.924 ' HB3' HD13 ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HD21 ' B' ' 86' ' ' LEU . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.661 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 1.005 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.971 ' NE2' HG21 ' B' ' 85' ' ' ILE . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.667 HG22 ' OE1' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.667 ' OE1' HG22 ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.919 HD21 ' HB2' ' B' ' 72' ' ' ARG . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 1.03 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.89 HG12 HD23 ' B' ' 64' ' ' LEU . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.552 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PHE . . . . . 0.932 ' CE1' HG23 ' A' ' 118' ' ' VAL . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.874 HG21 HD11 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.657 HD11 ' CE1' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.695 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.492 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.801 ' CG2' HD12 ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 15.8 t-160 -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.853 HD13 HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.508 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.853 HG13 HD13 ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.932 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.68 HG12 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.437 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . 0.68 ' CE1' HG12 ' A' ' 121' ' ' VAL . 8.9 m170 -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.2 tp60 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 110.353 -0.239 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.608 ' CD1' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.707 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ALA . . . . . 0.707 ' HA ' HG23 ' B' ' 57' ' ' VAL . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' LEU . . . . . 0.89 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 97' ' ' ILE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HG3' HD23 ' A' ' 86' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' CYS . . . . . 0.657 ' CB ' HD13 ' A' ' 89' ' ' LEU . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 1.03 HD11 HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLN . . . . . 0.705 ' HB2' HD11 ' A' ' 85' ' ' ILE . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' ILE . . . . . 1.005 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' LEU . . . . . 0.67 HD11 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' VAL . . . . . 0.987 HG12 HD23 ' A' ' 64' ' ' LEU . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' MET . . . . . 0.931 ' C ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' GLU . . . . . 0.425 ' N ' HD22 ' B' ' 95' ' ' LEU . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' GLN . . . . . 0.653 ' O ' HG22 ' B' ' 96' ' ' THR . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' PHE . . . . . 0.773 ' CE1' HG23 ' B' ' 118' ' ' VAL . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' C ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' ILE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ILE . . . . . 0.851 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' GLN . . . . . 0.851 ' H ' HD13 ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 103' ' ' GLN . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' LEU . . . . . 0.401 HD21 ' O ' ' B' ' 106' ' ' VAL . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' SER . . . . . 0.673 ' HA ' HD13 ' B' ' 117' ' ' ILE . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' VAL . . . . . 0.773 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LEU . . . . . 0.668 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' VAL . . . . . 0.655 HG21 HD22 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.84 131.81 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 109.962 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.36 151.24 3.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.337 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t30 57.82 166.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.363 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 178.65 91.12 0.16 Allowed Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.539 1.149 . . . . 0.0 108.351 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 106.71 2.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -170.37 161.23 6.31 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.416 1.073 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 121.26 6.49 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.793 . . . . 0.0 111.074 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -175.26 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -72.05 -52.37 17.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 11.9 m -63.16 -25.45 68.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -67.38 -60.33 2.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.438 1.086 . . . . 0.0 110.297 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 50' ' ' ARG . 1.0 OUTLIER -66.77 -22.38 66.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.364 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 t -66.08 -62.94 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 110.051 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.601 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -68.39 -20.18 64.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 111.061 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 2.0 tmt_? -72.21 -31.07 65.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.336 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 51' ' ' ARG . 5.5 ptt180 -121.29 38.14 4.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.274 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' B' ' 97' ' ' ILE . 0.0 OUTLIER -56.42 -49.48 74.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.839 ' H ' HG22 ' B' ' 97' ' ' ILE . 7.6 t 60.85 124.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 108.249 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' CE1' HD21 ' B' ' 98' ' ' LEU . 0.0 OUTLIER -33.98 117.49 0.33 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.595 1.184 . . . . 0.0 110.986 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.522 ' O ' ' C ' ' A' ' 56' ' ' GLU . 2.6 mt-30 -179.36 -82.02 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.553 1.158 . . . . 0.0 110.37 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.522 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.2 tm-20 -29.15 -62.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.578 1.174 . . . . 0.0 110.308 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.586 HG21 ' C ' ' A' ' 62' ' ' GLU . 17.6 m -96.84 133.38 38.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.44 20.35 17.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 110.031 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.64 171.32 15.05 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.409 1.068 . . . . 0.0 111.02 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -75.04 -75.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.442 1.759 . . . . 0.0 110.975 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.714 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -57.22 -13.52 3.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.262 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.586 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.0 mm-40 -75.03 -19.95 59.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.338 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.482 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -62.33 -63.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.213 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.74 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -69.22 -20.17 63.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 35.1 t -57.94 -61.32 2.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 1.146 . . . . 0.0 110.018 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 -65.86 -44.65 84.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.848 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.0 mt -62.34 -30.07 70.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.881 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -65.13 -45.21 86.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.68 -37.73 85.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 ' HB3' ' CB ' ' A' ' 49' ' ' PHE . 1.6 mm? -74.82 -41.09 60.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.242 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.623 ' SG ' ' N ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -55.15 -48.71 73.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 0.0 108.266 -179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.623 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -63.18 -35.19 79.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.84 -8.99 59.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.639 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.6 t90 -76.61 -56.06 4.96 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.024 HD23 ' HG ' ' A' ' 88' ' ' LEU . 0.0 OUTLIER -101.09 -45.8 5.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.517 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 38.33 61.24 4.71 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.457 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.4 Cg_endo -74.95 127.18 10.51 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.3 tp10 -103.98 2.68 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.008 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 177.32 -34.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.132 . . . . 0.0 109.322 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 1.008 ' N ' HD13 ' A' ' 79' ' ' LEU . 3.6 m170 -51.37 114.43 1.22 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 109.631 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.808 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.8 t -61.61 -159.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.579 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -69.59 -4.21 18.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.247 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.808 ' H ' HG23 ' A' ' 81' ' ' THR . 18.6 tp10 -61.97 -56.36 19.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.295 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -44.92 90.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 110.349 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.893 HD13 ' CD1' ' B' ' 85' ' ' ILE . 4.0 mt -57.06 -47.95 82.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.257 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.83 HD12 HD12 ' B' ' 75' ' ' LEU . 4.7 mp -53.1 -47.98 68.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.2 OUTLIER -69.45 -14.05 62.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.262 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.024 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.4 -64.82 0.87 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.04 HD21 HD11 ' B' ' 75' ' ' LEU . 0.2 OUTLIER -66.2 -34.79 78.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.712 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.8 t -61.94 -41.56 91.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.625 ' O ' ' N ' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -65.81 -67.77 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.985 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.649 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.3 tt0 -39.05 -40.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.65 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.8 OUTLIER -81.11 -27.5 35.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.362 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.132 ' CZ ' HD11 ' B' ' 64' ' ' LEU . 2.1 t80 -52.41 -44.89 65.67 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.801 HD13 ' HB3' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -88.39 -33.8 17.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.306 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.625 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -51.41 -33.49 30.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.348 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.948 HD11 ' HB1' ' B' ' 63' ' ' ALA . 8.1 pt -76.9 -35.25 23.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.986 HD22 HG11 ' A' ' 121' ' ' VAL . 13.0 mt -68.09 160.85 72.49 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.568 1.168 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.1 Cg_endo -74.94 -162.03 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.406 1.74 . . . . 0.0 111.028 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -78.6 0.5 26.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 110.286 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.604 ' OE2' ' CE1' ' A' ' 124' ' ' PHE . 2.1 tp10 -56.82 -53.31 59.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.168 . . . . 0.0 110.319 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.735 HG22 ' CG2' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.53 -31.69 53.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.596 ' HA ' HG12 ' A' ' 106' ' ' VAL . 3.3 tt0 -72.17 -23.06 61.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.83 -41.69 22.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -36.64 79.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.275 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.8 ' CG2' HD13 ' A' ' 111' ' ' LEU . 8.4 p -75.52 -40.04 41.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -57.49 -47.06 82.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -86.83 5.62 35.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.56 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.2 122.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 110.392 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 179.94 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 108.286 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.84 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -53.01 160.96 0.87 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.246 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.445 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -173.39 -39.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.002 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.512 ' O ' HD12 ' A' ' 117' ' ' ILE . 10.6 t -126.63 131.22 51.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 66.6 p -47.36 -44.18 23.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.941 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -59.07 -38.66 79.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.3 tm-20 -65.3 -45.39 84.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.512 HD12 ' O ' ' A' ' 113' ' ' SER . 2.7 mp -56.12 -62.81 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.596 ' CG2' ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -54.52 -27.85 18.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.112 . . . . 0.0 109.314 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.5 OUTLIER -62.11 -48.69 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.402 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.54 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -63.15 -47.43 82.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.986 HG11 HD22 ' A' ' 98' ' ' LEU . 90.1 t -58.59 -28.74 37.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.623 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 30.9 tt0 -71.47 -61.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.873 ' O ' ' HB3' ' A' ' 127' ' ' ALA . 6.1 p30 -62.05 -10.7 10.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.604 ' CE1' ' OE2' ' A' ' 101' ' ' GLU . 26.7 t80 -85.68 -69.42 0.66 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.072 . . . . 0.0 110.976 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -70.78 -6.13 35.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.075 . . . . 0.0 109.596 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.623 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 0.3 OUTLIER -109.34 -44.07 3.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.07 . . . . 0.0 110.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.873 ' HB3' ' O ' ' A' ' 123' ' ' ASP . . . -111.09 -165.79 1.02 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 68.7 m -162.34 74.06 0.4 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 109.982 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.97 176.72 11.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -43.94 121.11 3.67 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 108.69 2.78 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.455 1.766 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.477 1.11 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 69.3 p -107.52 91.96 3.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 0.759 . . . . 0.0 110.037 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.81 172.63 12.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.572 1.17 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -123.45 -48.29 1.95 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 46.6 79.15 0.36 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 108.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 122.6 7.31 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -165.69 86.67 0.96 Allowed Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -61.53 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.551 1.816 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.78 50.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.711 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -78.16 -55.56 5.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.12 . . . . 0.0 109.246 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.711 ' N ' HD13 ' B' ' 44' ' ' LEU . 65.3 m -53.12 -24.3 10.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.087 . . . . 0.0 108.235 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.615 HH21 HD12 ' B' ' 111' ' ' LEU . 6.2 tmm_? -77.89 -59.68 2.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.577 1.173 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.44 ' NE2' ' O ' ' B' ' 47' ' ' GLN . 1.0 OUTLIER -61.73 -10.88 9.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -93.64 -45.44 7.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 109.994 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.633 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -59.82 -39.89 86.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.132 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.618 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -38.89 96.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.336 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.457 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 6.8 ttm180 81.38 52.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.334 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.574 ' CZ ' ' HG2' ' B' ' 66' ' ' GLN . 21.4 t80 -44.61 -34.08 2.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 111.036 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.738 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.8 t 92.63 119.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 108.337 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.7 ' CZ ' HG12 ' A' ' 121' ' ' VAL . 1.8 t80 -47.04 -65.3 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' O ' ' O ' ' B' ' 56' ' ' GLU . 2.2 tp60 39.96 27.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.479 ' O ' ' O ' ' B' ' 55' ' ' GLN . 1.3 tm-20 35.44 94.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.594 HG23 ' CB ' ' B' ' 62' ' ' GLU . 0.1 OUTLIER -82.87 51.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.272 -179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.553 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.6 OUTLIER 90.02 -29.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.994 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -168.87 -172.77 36.0 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.468 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -68.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.453 1.765 . . . . 0.0 111.06 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -45.18 -30.08 1.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 110.274 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.594 ' CB ' HG23 ' B' ' 57' ' ' VAL . 10.4 mp0 -55.2 -27.69 47.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 110.245 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.948 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -54.77 -62.3 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 1.132 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 1.3 mp -54.04 -45.25 71.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.95 -57.05 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.988 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.574 ' HG2' ' CZ ' ' B' ' 52' ' ' PHE . 1.1 mp0 -60.96 -54.91 39.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.65 HD13 ' HB3' ' A' ' 93' ' ' GLN . 80.9 mt -55.47 -68.64 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.548 ' N ' ' O ' ' B' ' 64' ' ' LEU . 2.7 ttt180 -34.71 -34.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.358 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -69.83 -52.67 22.97 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.475 1.11 . . . . 0.0 110.315 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.633 HD13 ' HB2' ' B' ' 49' ' ' PHE . 3.1 mt -66.99 -51.94 48.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.853 ' HB3' HD13 ' A' ' 89' ' ' LEU . 16.9 m -53.85 -52.84 59.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 6.2 ttp180 -47.66 -46.11 28.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.12 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' B' ' 70' ' ' LEU . 7.8 pt20 -81.9 -9.03 59.71 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 110.321 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.847 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.1 t90 -70.73 -55.29 8.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 108.018 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.04 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -94.7 -55.61 3.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.267 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.507 ' O ' ' O ' ' B' ' 75' ' ' LEU . 42.7 tt0 56.61 127.18 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.492 ' HG3' ' CE ' ' A' ' 82' ' ' LYS . 18.3 Cg_endo -74.97 147.81 34.57 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.426 1.75 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.404 ' O ' ' HB2' ' B' ' 79' ' ' LEU . 3.4 tp10 -178.87 52.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.334 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' B' ' 78' ' ' GLU . 3.0 mm? 67.52 8.05 6.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -89.8 99.3 12.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 109.606 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.602 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.8 t -61.77 -155.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.507 1.13 . . . . 0.0 110.363 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.583 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.9 -4.94 5.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 109.205 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.602 ' H ' HG23 ' B' ' 81' ' ' THR . 21.3 mt-10 -61.78 -56.91 14.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.42 ' O ' HD22 ' B' ' 88' ' ' LEU . 5.7 tp60 -68.95 -43.73 74.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CD1' HD13 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -54.96 -47.49 76.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.683 ' O ' HG23 ' B' ' 90' ' ' VAL . 1.3 mp -59.94 -63.39 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -53.35 -17.32 1.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 0.0 110.307 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 1.032 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -69.16 -58.83 3.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.346 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.968 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -66.23 -32.46 73.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.881 HG22 ' HA ' ' A' ' 68' ' ' ARG . 88.0 t -57.62 -46.55 86.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.68 ' CE ' HD11 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -67.17 -68.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 111.027 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.467 ' OE1' ' NE ' ' B' ' 46' ' ' ARG . 14.7 tp10 -35.75 -36.91 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.115 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.848 ' HB3' HD13 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -79.29 -50.47 10.85 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.336 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.078 ' CE1' HD11 ' B' ' 98' ' ' LEU . 46.0 t80 -52.78 -18.03 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.851 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -95.98 -41.25 8.86 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' HA ' ' B' ' 93' ' ' GLN . 2.9 t -68.32 -22.61 64.69 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.839 HG22 ' H ' ' A' ' 53' ' ' CYS . 1.1 pt -88.53 -35.02 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.078 HD11 ' CE1' ' B' ' 94' ' ' PHE . 71.2 mt -86.93 150.84 51.06 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.492 ' O ' ' N ' ' B' ' 101' ' ' GLU . 18.5 Cg_endo -74.96 133.26 16.44 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.447 1.761 . . . . 0.0 111.047 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' B' ' 99' ' ' PRO . 0.2 OUTLIER -34.89 -33.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 110.28 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' B' ' 99' ' ' PRO . 0.3 OUTLIER -43.42 -30.18 0.52 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.905 ' HA ' HD21 ' B' ' 120' ' ' LEU . 2.5 pp -73.07 -50.18 33.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.764 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -62.61 -16.99 59.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.535 ' O ' ' HA ' ' B' ' 108' ' ' HIS . . . -91.09 -45.1 8.88 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.104 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.563 ' CB ' HD13 ' B' ' 120' ' ' LEU . 0.3 OUTLIER -65.6 -11.55 45.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.52 1.137 . . . . 0.0 110.351 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.65 HG22 ' O ' ' B' ' 102' ' ' ILE . 30.5 m -105.55 -60.78 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.431 1.082 . . . . 0.0 109.3 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.629 ' N ' HG23 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -97.71 -35.97 10.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.535 ' HA ' ' O ' ' B' ' 104' ' ' ALA . 3.9 t-160 88.15 12.05 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 160.99 40.69 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.434 1.084 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.47 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 0.5 OUTLIER 162.13 -170.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.698 HD23 ' HB2' ' B' ' 103' ' ' GLN . 2.5 mt -108.97 161.76 14.85 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.464 ' SD ' ' CB ' ' B' ' 113' ' ' SER . 14.6 tmm? -143.43 -77.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.471 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 7.8 m -129.79 129.58 44.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 59.9 p -58.35 -24.37 59.6 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 0.0 110.023 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.4 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.7 OUTLIER -72.77 -44.75 61.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.557 1.161 . . . . 0.0 109.281 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.415 ' O ' ' HB ' ' B' ' 119' ' ' THR . 1.0 OUTLIER -64.16 -36.89 85.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.718 ' CG2' HD13 ' B' ' 102' ' ' ILE . 1.7 mp -63.99 -66.53 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.528 1.142 . . . . 0.0 109.339 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.943 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -56.09 -19.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 0.0 109.283 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -67.98 -55.48 12.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.427 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.905 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.3 OUTLIER -59.68 -39.14 83.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.7 HG11 ' OH ' ' A' ' 54' ' ' TYR . 44.5 t -60.61 -42.56 92.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 109.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -62.19 -38.16 88.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 110.28 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.561 ' CA ' ' HB2' ' B' ' 127' ' ' ALA . 25.6 m-20 -62.78 -40.61 97.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -68.99 -32.91 72.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.623 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.2 m170 -73.57 -39.8 64.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 1.172 . . . . 0.0 109.659 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 20.3 ttt180 175.53 71.23 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.548 1.155 . . . . 0.0 110.366 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.561 ' HB2' ' CA ' ' B' ' 123' ' ' ASP . . . -57.23 -167.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.409 1.068 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 23.1 t -170.68 -39.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.547 1.155 . . . . 0.0 109.936 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.87 142.41 36.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.109 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.58 150.55 1.71 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 160.92 39.63 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.2 p -81.39 111.94 18.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 0.729 . . . . 0.0 109.93 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -152.77 170.25 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -165.33 147.22 7.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 28.7 p -43.11 127.99 3.38 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.298 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 59.98 5.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' CG ' ' NH2' ' A' ' 46' ' ' ARG . 12.3 t0 -159.97 84.13 2.16 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -179.97 5.52 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -115.06 14.25 17.06 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -74.66 -62.44 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 32.9 m -54.28 -32.96 57.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 108.348 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 41' ' ' ASP . 44.3 mtt180 -61.91 -67.0 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.215 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -60.09 -18.62 48.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 16.1 t -66.67 -52.92 39.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.0 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.855 ' HB2' HD13 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -83.07 -15.71 49.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 111.034 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.558 ' HA ' ' NE2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -79.47 -24.34 42.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 110.265 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -114.35 38.18 3.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.233 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.762 ' CG ' HD21 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -48.69 -71.46 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 111.01 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.8 OUTLIER 70.36 63.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.597 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 33.85 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 110.966 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 71.55 -61.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.298 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.545 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 1.4 tp10 -43.58 -64.98 0.55 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.115 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.884 HG21 ' HA ' ' A' ' 63' ' ' ALA . 32.7 m -88.13 -26.05 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 41.62 26.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.52 ' H ' HG23 ' A' ' 57' ' ' VAL . . . -132.23 174.18 20.42 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.574 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.96 -89.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.515 1.797 . . . . 0.0 111.012 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.645 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 17.1 pt20 -60.88 -10.49 5.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.32 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.812 ' O ' HG11 ' A' ' 57' ' ' VAL . 2.0 mm-40 -74.19 -19.43 60.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.884 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -61.81 -68.48 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.671 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -65.33 -20.85 66.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.293 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 44.0 t -55.8 -63.32 1.21 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.585 1.178 . . . . 0.0 110.009 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CG1' ' A' ' 57' ' ' VAL . 1.7 mm-40 -65.17 -44.01 89.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.565 1.166 . . . . 0.0 110.339 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.928 HD13 ' HG3' ' B' ' 93' ' ' GLN . 69.1 mt -64.48 -24.96 67.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -65.98 -48.45 71.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -66.22 -33.08 74.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.412 1.07 . . . . 0.0 110.279 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.855 HD13 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -72.24 -48.77 40.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.741 ' HB2' HD13 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -52.32 -48.71 65.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.314 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.617 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 42.1 ttt85 -60.57 -37.83 82.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -8.75 59.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' B' ' 89' ' ' LEU . 3.2 t90 -78.95 -55.42 5.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 107.976 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -95.91 -54.64 3.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.492 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.0 OUTLIER 37.25 62.24 3.5 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.318 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.95 144.91 30.99 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -113.35 -3.4 13.8 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.489 1.118 . . . . 0.0 110.246 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.7 pp -176.49 -39.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -50.26 112.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 109.579 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.762 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.0 t -60.54 -158.59 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.753 ' HA ' HD12 ' A' ' 85' ' ' ILE . 0.0 OUTLIER -66.63 -4.91 9.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.762 ' H ' HG23 ' A' ' 81' ' ' THR . 0.5 OUTLIER -63.24 -51.89 64.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.539 1.15 . . . . 0.0 110.251 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.448 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 3.3 tt0 -66.27 -45.33 80.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.944 HG22 HD13 ' B' ' 75' ' ' LEU . 7.3 mt -55.52 -54.48 25.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.452 1.095 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 89' ' ' LEU . 8.4 mp -51.11 -45.12 61.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.444 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.5 tp10 -74.33 -10.18 59.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.759 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -72.55 -61.22 1.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.933 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.1 OUTLIER -67.63 -33.3 74.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.115 . . . . 0.0 109.307 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 86' ' ' LEU . 50.9 t -63.98 -41.62 93.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.647 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.42 -71.49 0.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 111.066 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 5.2 tm-20 -37.71 -36.79 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.74 ' O ' HG22 ' A' ' 96' ' ' THR . 12.6 tp60 -81.81 -42.67 19.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.984 ' CE1' HG23 ' A' ' 118' ' ' VAL . 5.8 t80 -45.89 -39.54 8.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 111.048 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.995 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -84.1 -44.68 13.8 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.0 OUTLIER -40.47 -28.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.78 HD12 ' CE2' ' B' ' 52' ' ' PHE . 0.3 OUTLIER -88.77 -36.58 9.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.308 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.725 HD22 HG21 ' A' ' 121' ' ' VAL . 44.2 mt -67.76 151.53 97.1 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.255 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.498 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.7 Cg_endo -74.9 -159.09 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.439 1.757 . . . . 0.0 111.037 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -83.36 -5.13 59.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.335 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.597 ' CG ' ' CD1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -52.32 -51.25 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.727 HG22 HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -59.99 -34.24 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.539 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -67.08 -30.1 70.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.64 -51.35 19.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.13 . . . . 0.0 109.232 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -29.5 68.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 110.266 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 102' ' ' ILE . 2.8 t -69.93 -45.77 75.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.333 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.1 -42.76 99.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -61.36 -80.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.695 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 170.37 86.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 110.231 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.578 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.5 OUTLIER -156.9 49.17 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.313 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.742 HD13 ' N ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER -108.87 105.6 15.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.561 1.163 . . . . 0.0 109.25 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.564 ' HE2' ' C ' ' A' ' 110' ' ' CYS . 1.8 mtm -140.38 -80.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 116' ' ' GLU . 35.6 p -128.42 143.92 51.06 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.994 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 117' ' ' ILE . 40.4 p -42.94 -26.72 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.42 ' N ' ' C ' ' A' ' 113' ' ' SER . 2.5 mtmt -62.45 -47.8 82.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.214 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 113' ' ' SER . 21.4 mm-40 -58.94 -43.18 91.19 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 110.283 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.574 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.8 mp -57.2 -71.21 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.267 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.984 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -42.85 -29.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.4 OUTLIER -65.08 -54.08 35.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.399 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.028 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -53.97 -33.56 57.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.117 . . . . 0.0 109.282 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.853 ' N ' HD13 ' A' ' 120' ' ' LEU . 2.1 t -66.41 -48.67 80.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.614 1.196 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -67.13 -22.9 65.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.661 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 8.0 t70 -75.44 -43.3 50.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.597 ' CD1' ' CG ' ' A' ' 101' ' ' GLU . 0.3 OUTLIER -73.18 -39.42 65.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 110.937 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.737 ' CE1' HG13 ' A' ' 121' ' ' VAL . 13.1 m170 -65.02 -47.46 77.34 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.446 1.091 . . . . 0.0 109.578 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 178.94 68.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.349 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.661 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -46.77 164.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -118.8 -49.78 2.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.003 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.2 176.08 6.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.092 . . . . 0.0 109.229 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -40.93 104.13 0.33 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 143.51 29.0 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.291 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 31.3 p 177.24 128.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 0.749 . . . . 0.0 109.999 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.4 134.67 4.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 176.58 121.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 30.7 p -166.96 146.11 4.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.592 1.182 . . . . 0.0 108.299 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 146.34 32.61 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.518 1.799 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.04 154.8 70.71 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 135.14 18.76 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.489 1.784 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 65.8 28.06 10.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.748 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.5 OUTLIER -80.47 -58.9 2.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.748 ' N ' HD13 ' B' ' 44' ' ' LEU . 7.4 m -52.06 -27.93 15.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 108.344 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.437 ' NH2' ' OE1' ' B' ' 92' ' ' GLU . 0.1 OUTLIER -80.41 -47.49 14.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.316 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.639 HE21 HH21 ' B' ' 50' ' ' ARG . 2.4 tt0 -66.46 -11.05 50.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.07 -56.85 2.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.007 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.705 ' HB2' HD13 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -54.34 -33.51 59.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.945 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.639 HH21 HE21 ' B' ' 47' ' ' GLN . 5.0 ttm180 -43.84 93.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 110.253 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.48 ' N ' ' O ' ' B' ' 49' ' ' PHE . 0.2 OUTLIER 79.6 59.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.467 1.104 . . . . 0.0 110.295 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.78 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.0 OUTLIER -59.9 -20.22 56.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 1.13 . . . . 0.0 110.99 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.558 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 41.5 t 63.08 127.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.506 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 9.6 t80 -59.85 83.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 111.026 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' B' ' 53' ' ' CYS . 7.9 tt0 -152.64 -60.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' B' ' 55' ' ' GLN . 19.5 tp10 -37.3 -55.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.519 HG21 ' C ' ' B' ' 62' ' ' GLU . 1.4 m -91.56 123.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 10.7 p -89.09 18.11 5.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.419 1.075 . . . . 0.0 109.995 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -115.56 170.84 13.44 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.434 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.2 Cg_endo -75.06 -86.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.418 1.747 . . . . 0.0 110.981 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.937 ' O ' HD12 ' B' ' 64' ' ' LEU . 1.6 pt20 -55.32 -17.77 5.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 110.253 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.519 ' C ' HG21 ' B' ' 57' ' ' VAL . 0.7 OUTLIER -57.1 -16.73 8.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.095 . . . . 0.0 110.315 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.653 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.58 -59.04 5.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.937 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -71.28 -20.46 62.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.284 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.495 ' CB ' ' OE2' ' B' ' 62' ' ' GLU . 73.5 m -58.38 -55.86 29.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.975 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.729 ' O ' HD12 ' B' ' 70' ' ' LEU . 7.2 tp60 -69.84 -37.77 76.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.735 HD21 ' HB3' ' B' ' 52' ' ' PHE . 37.3 mt -67.0 -36.39 82.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.526 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 14.9 ttt180 -63.74 -38.59 91.69 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.425 1.078 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -67.82 -46.75 70.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.729 HD12 ' O ' ' B' ' 66' ' ' GLN . 1.5 mt -68.53 -40.06 80.89 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.659 ' SG ' HD13 ' A' ' 89' ' ' LEU . 7.7 m -61.22 -63.29 1.34 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 108.307 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.434 ' HB2' HD23 ' A' ' 86' ' ' LEU . 5.3 ttp85 -47.98 -36.0 11.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.404 ' OE1' ' CB ' ' B' ' 45' ' ' CYS . 4.9 tt0 -80.54 -17.86 50.19 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.685 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.6 t90 -79.23 -54.76 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 108.0 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.944 HD13 HG22 ' A' ' 85' ' ' ILE . 32.1 mt -79.09 -61.24 2.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.366 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 28.66 77.03 0.31 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 110.337 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.427 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.5 Cg_endo -74.97 -159.61 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.497 1.788 . . . . 0.0 111.047 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.724 ' C ' HD22 ' B' ' 79' ' ' LEU . 12.1 tt0 179.37 70.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.276 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.724 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.4 mm? 79.64 6.1 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -90.77 121.9 33.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.799 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.0 t -60.17 -158.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 110.424 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.757 ' O ' HD13 ' B' ' 86' ' ' LEU . 7.8 pttm -70.43 -3.43 17.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.799 ' H ' HG23 ' B' ' 81' ' ' THR . 11.5 mt-10 -62.67 -56.4 18.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.442 1.089 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.54 ' O ' HD13 ' B' ' 88' ' ' LEU . 31.2 tp60 -62.67 -38.36 90.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.284 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.938 HG12 HG21 ' A' ' 85' ' ' ILE . 0.9 OUTLIER -63.32 -49.62 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.415 1.072 . . . . 0.0 109.271 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 90' ' ' VAL . 3.8 mp -53.64 -40.01 65.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -77.44 -19.68 55.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.33 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.609 HD22 ' HA ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -67.61 -52.45 38.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.275 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.57 -37.33 76.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.241 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 86' ' ' LEU . 74.1 t -64.84 -34.8 72.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.916 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -66.71 -69.56 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.604 ' HG2' ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -51.08 -27.85 9.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.308 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.928 ' HG3' HD13 ' A' ' 67' ' ' LEU . 7.6 tp-100 -79.63 -63.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.232 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 18.6 t80 -43.93 -24.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.916 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -85.16 -44.03 13.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.248 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.565 HG22 ' O ' ' B' ' 93' ' ' GLN . 1.9 t -61.8 -22.51 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.808 HG21 HD11 ' A' ' 67' ' ' LEU . 1.0 OUTLIER -82.82 -33.08 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.494 1.121 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.79 HD11 ' CE1' ' B' ' 94' ' ' PHE . 22.8 mt -83.86 161.05 56.89 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.448 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -74.99 -159.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.477 1.778 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -80.54 -3.4 50.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.01 -52.55 62.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.465 1.103 . . . . 0.0 110.306 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.715 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -68.38 -36.23 74.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.282 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.715 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.7 OUTLIER -63.02 -24.92 68.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 110.297 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.05 -47.73 12.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.448 ' NH2' HH21 ' B' ' 109' ' ' ARG . 0.0 OUTLIER -67.29 -26.44 66.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' B' ' 103' ' ' GLN . 1.3 p -85.88 -37.62 12.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.239 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mtt180 -59.82 -44.94 93.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.247 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -94.81 -174.85 3.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.579 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.448 HH21 ' NH2' ' B' ' 105' ' ' ARG . 3.2 mtt180 56.42 -175.17 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.524 1.14 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 4.0 t -113.43 -74.41 0.63 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 108.301 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.53 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.8 OUTLIER -58.1 157.41 8.14 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.4 ' HG2' HG23 ' B' ' 106' ' ' VAL . 3.5 tpt 177.17 73.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.505 ' O ' HD12 ' B' ' 117' ' ' ILE . 0.1 OUTLIER -73.08 142.66 47.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.978 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 44.5 m -43.79 -51.66 7.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.115 . . . . 0.0 110.003 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 11.2 mtpt -54.43 -31.59 55.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' B' ' 113' ' ' SER . 7.6 tp10 -68.95 -35.13 76.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.331 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.673 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.8 mp -66.48 -55.46 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 1.232 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.2 t -55.41 -37.51 45.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.273 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -46.82 87.45 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 110.361 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.673 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.24 -45.01 94.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.296 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.562 HG21 HD13 ' B' ' 98' ' ' LEU . 89.0 t -56.04 -38.99 55.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.75 -42.63 63.85 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.09 . . . . 0.0 110.334 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.94 -24.54 67.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -86.47 -36.5 19.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.945 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 20.9 m170 -80.51 -13.37 59.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.617 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' B' ' 127' ' ' ALA . 3.2 mtm180 -104.47 -61.11 1.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' B' ' 126' ' ' ARG . . . 59.35 154.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.572 1.17 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 48.2 t 179.42 49.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.422 1.076 . . . . 0.0 109.954 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 6.7 tttt -173.01 -153.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 175.87 -57.96 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.091 . . . . 0.0 109.225 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.457 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -74.98 134.17 17.51 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.469 1.773 . . . . 0.0 110.958 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.425 1.078 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -91.16 166.51 12.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 110.03 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.46 145.19 38.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.089 . . . . 0.0 109.236 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -149.08 151.85 35.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -161.99 117.14 1.25 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.13 . . . . 0.0 108.355 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 130.02 12.93 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.46 1.769 . . . . 0.0 110.992 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.441 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 8.0 m-20 52.13 65.02 6.74 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.423 1.077 . . . . 0.0 109.285 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 -39.3 1.23 Allowed 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.541 1.811 . . . . 0.0 110.973 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -174.03 -43.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.402 1.064 . . . . 0.0 110.242 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -71.1 -54.89 9.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.288 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -65.0 -25.97 68.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 108.25 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.432 ' CD ' ' CZ2' ' A' ' 74' ' ' TRP . 52.0 ttp180 -66.7 -50.51 62.61 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.155 . . . . 0.0 110.25 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -75.77 -23.14 55.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -53.91 28.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.949 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.637 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -72.81 -44.89 60.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -55.71 -33.74 64.48 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.416 1.073 . . . . 0.0 110.301 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -90.73 24.27 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.605 1.191 . . . . 0.0 110.281 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.705 ' CZ ' ' HA ' ' A' ' 54' ' ' TYR . 2.3 t80 -46.59 -40.19 12.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.549 ' O ' ' C ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 33.22 76.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 108.329 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.705 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER 24.39 49.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.993 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 tt0 -89.52 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 55' ' ' GLN . 1.7 mm-40 -38.19 -76.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.66 HG21 ' O ' ' A' ' 62' ' ' GLU . 27.0 m -98.76 155.48 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.132 . . . . 0.0 109.228 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.44 10.23 15.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.48 -179.47 45.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -89.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.499 1.789 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.5 tt0 -55.03 -19.06 6.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 110.336 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.66 ' O ' HG21 ' A' ' 57' ' ' VAL . 2.4 mt-10 -58.15 -31.19 66.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.655 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -60.57 -54.85 40.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.622 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.7 mp -65.02 -25.5 67.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.259 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.449 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 18.3 m -59.38 -57.46 12.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.015 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.1 -45.87 90.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' PHE . 79.4 mt -63.76 -67.45 0.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.518 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 6.1 ttt180 -40.2 -28.56 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 110.273 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.435 ' N ' ' C ' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -71.07 -63.82 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.58 -28.64 70.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.773 ' SG ' HD13 ' B' ' 89' ' ' LEU . 21.6 m -65.99 -60.32 2.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 108.305 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.546 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 53.3 ttt180 -47.78 -38.7 16.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -82.48 -14.79 54.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.8 t90 -67.15 -55.43 14.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.16 . . . . 0.0 108.043 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.061 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -100.45 -53.01 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.618 ' O ' ' CG ' ' A' ' 76' ' ' GLN . 3.1 pt20 45.2 110.67 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.432 ' HG3' ' CB ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.02 54.43 3.65 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.483 1.781 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -122.48 -0.32 9.27 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.11 . . . . 0.0 110.342 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.66 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -172.3 -44.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.66 ' N ' HD12 ' A' ' 79' ' ' LEU . 13.2 m170 -81.61 93.05 6.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.599 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' H ' ' A' ' 83' ' ' GLU . 3.9 t -81.46 -177.07 6.35 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.475 1.109 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.812 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -43.91 -24.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.263 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.571 ' H ' HG23 ' A' ' 81' ' ' THR . 1.9 tm-20 -60.92 -58.07 9.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.578 ' CD ' ' CD2' ' A' ' 80' ' ' HIS . 6.9 mm-40 -71.46 -41.89 68.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 110.259 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.641 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.5 mt -56.65 -52.44 53.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.547 1.155 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.921 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -54.36 -53.06 59.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 109.406 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.429 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 2.5 mt-10 -64.91 -12.98 55.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.239 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.782 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -67.27 -63.78 0.99 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.045 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.86 -38.89 92.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.59 1.181 . . . . 0.0 109.285 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 86' ' ' LEU . 77.1 t -54.67 -43.13 64.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.424 1.078 . . . . 0.0 109.285 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.82 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.8 tpt -65.11 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.521 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.4 tp10 -39.91 -36.93 0.51 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.39 1.056 . . . . 0.0 110.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.735 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.7 OUTLIER -75.56 -54.1 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.297 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.052 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 36.9 t80 -43.22 -31.19 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.938 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.01 -42.54 19.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.6 t -65.44 -23.73 67.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.39 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.877 HG21 ' CD1' ' B' ' 52' ' ' PHE . 2.5 pp -92.26 -41.72 13.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.915 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 3.5 mt -57.56 163.59 3.57 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.431 1.082 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.63 ' O ' HD12 ' A' ' 102' ' ' ILE . 18.5 Cg_endo -74.93 -161.11 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.468 1.773 . . . . 0.0 111.015 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.82 -11.58 55.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.301 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.711 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -50.33 -42.43 52.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 1.102 . . . . 0.0 110.302 -179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.801 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -65.26 -40.11 87.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.286 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.801 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.5 tp60 -60.5 -27.66 67.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.91 -40.95 27.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.339 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.979 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -63.21 -40.31 97.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.299 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.547 HG12 HD21 ' A' ' 111' ' ' LEU . 31.9 m -71.77 -45.67 64.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' N ' HG23 ' A' ' 106' ' ' VAL . 3.8 mtt180 -50.01 -47.14 53.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' O ' ' CD ' ' A' ' 109' ' ' ARG . 0.3 OUTLIER -77.74 -87.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.561 1.163 . . . . 0.0 109.558 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.465 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.0 OUTLIER 166.83 127.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.352 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 46.51 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.428 1.08 . . . . 0.0 108.332 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.547 HD21 HG12 ' A' ' 106' ' ' VAL . 19.6 mt -105.54 150.42 25.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.436 1.085 . . . . 0.0 109.39 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.5 ' CG ' ' C ' ' A' ' 111' ' ' LEU . 0.0 OUTLIER 173.98 -56.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.146 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -128.2 146.97 50.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.517 1.135 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 117' ' ' ILE . 2.4 m -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.066 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.47 -29.9 59.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.488 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.3 OUTLIER -67.3 -56.34 10.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.6 1.187 . . . . 0.0 110.343 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.724 ' HA ' HD23 ' A' ' 120' ' ' LEU . 3.1 mp -49.53 -52.69 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 1.052 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.9 OUTLIER -57.12 -39.16 64.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.471 ' O ' ' HG3' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -61.79 -46.03 91.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.396 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.979 HD22 ' HG3' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.846 HG21 HD13 ' A' ' 98' ' ' LEU . 55.2 t -57.35 -43.92 83.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 119' ' ' THR . 0.0 OUTLIER -70.93 -18.65 62.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.603 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 10.1 t70 -79.66 -44.25 21.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.379 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -74.81 -27.36 60.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 111.042 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.753 ' CE1' HG13 ' A' ' 121' ' ' VAL . 16.6 m170 -79.67 -43.26 23.1 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.479 1.112 . . . . 0.0 109.592 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 178.89 65.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.33 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -45.01 126.97 6.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 43.9 t -163.18 34.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 66.45 148.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' CD ' ' OG1' ' A' ' 119' ' ' THR . 0.0 OUTLIER -149.8 152.83 35.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 156.3 42.88 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.492 1.785 . . . . 0.0 111.006 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 10.9 tttt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 75.2 m -128.13 169.12 14.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 0.728 . . . . 0.0 109.977 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 137.37 28.1 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' B' ' 39' ' ' CYS . 3.9 t-20 -88.13 169.23 12.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 109.357 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.479 ' N ' ' CD ' ' B' ' 40' ' ' PRO . 0.4 OUTLIER 167.3 -54.79 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 108.297 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.479 ' CD ' ' N ' ' B' ' 39' ' ' CYS . 18.3 Cg_endo -74.97 112.91 3.67 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.455 1.766 . . . . 0.0 110.994 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.4 ' CB ' ' O ' ' B' ' 40' ' ' PRO . 0.2 OUTLIER 163.44 115.31 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.26 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 57.08 4.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.502 1.79 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 169.28 43.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.255 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.542 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.3 tm? -79.5 -55.77 4.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.494 ' N ' HD13 ' B' ' 44' ' ' LEU . 25.6 p -56.73 -26.12 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 108.359 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.544 ' HG2' ' CD1' ' B' ' 74' ' ' TRP . 3.1 mtt180 -75.36 -57.32 3.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.145 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.78 -11.03 53.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.246 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 38.2 t -86.68 -57.85 2.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER -62.83 -28.28 69.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.558 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 17.2 ttp85 -55.65 86.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 8.9 ttm180 84.8 64.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.162 . . . . 0.0 110.299 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.877 ' CD1' HG21 ' A' ' 97' ' ' ILE . 6.0 p90 -69.89 -8.1 45.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 111.05 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.425 ' H ' HG22 ' A' ' 97' ' ' ILE . 24.6 t 62.32 127.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.361 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.406 ' OH ' ' O ' ' B' ' 59' ' ' GLY . 7.0 t80 -57.9 103.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.428 1.08 . . . . 0.0 110.959 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -175.21 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.276 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.48 -57.8 7.39 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.417 1.073 . . . . 0.0 110.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.612 HG12 ' HG3' ' B' ' 66' ' ' GLN . 1.8 m -79.03 -51.44 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.516 ' N ' ' CG2' ' B' ' 57' ' ' VAL . 1.8 t 80.59 -52.8 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.406 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -53.91 173.22 0.62 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.536 1.147 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.576 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -75.06 -76.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.587 1.835 . . . . 0.0 110.96 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.656 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 7.1 pm0 -66.26 -7.91 21.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.223 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.549 ' O ' HG11 ' B' ' 57' ' ' VAL . 2.5 tp10 -70.36 -16.37 62.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.273 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.454 ' HB3' HD13 ' B' ' 64' ' ' LEU . . . -65.9 -68.67 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.781 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -63.01 -20.6 65.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 109.266 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.453 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 36.9 m -59.35 -59.7 5.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.952 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.612 ' HG3' HG12 ' B' ' 57' ' ' VAL . 6.1 mm100 -65.71 -40.83 92.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 93' ' ' GLN . 28.3 mt -67.72 -26.13 66.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.546 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 2.7 ttp180 -68.24 -42.86 79.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 110.337 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -68.01 -45.69 73.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.291 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 74' ' ' TRP . 3.8 mm? -66.47 -42.93 86.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.843 ' HB3' HD13 ' A' ' 89' ' ' LEU . 15.1 m -58.31 -56.4 22.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 108.296 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.455 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 21.1 mtp180 -48.22 -44.88 33.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.359 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -80.81 -8.35 59.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.692 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.0 t90 -73.07 -55.63 6.24 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.045 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -94.61 -59.37 1.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.4 tt0 45.81 105.03 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 63.03 5.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.15 1.72 3.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.458 1.099 . . . . 0.0 110.285 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.624 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER -146.45 15.78 1.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.314 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.599 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.2 m170 162.47 132.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.595 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.665 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.1 t -62.05 -156.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.418 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.692 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -64.93 -5.29 5.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.665 ' H ' HG23 ' B' ' 81' ' ' THR . 12.0 pt-20 -62.69 -43.9 97.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 110.255 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.435 ' N ' ' CG ' ' B' ' 83' ' ' GLU . 10.2 tp60 -64.1 -44.31 92.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.841 HG22 HD13 ' A' ' 75' ' ' LEU . 4.8 mt -61.76 -55.78 22.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.659 ' O ' HD12 ' B' ' 89' ' ' LEU . 9.5 mp -46.97 -56.72 5.92 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.55 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 1.0 OUTLIER -61.93 -19.72 63.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.474 ' CB ' ' O ' ' B' ' 85' ' ' ILE . 0.0 OUTLIER -63.11 -66.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.099 . . . . 0.0 109.351 179.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.061 HD21 HD11 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -61.35 -31.11 70.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 86' ' ' LEU . 38.2 t -64.14 -45.02 97.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.471 ' O ' HD13 ' B' ' 95' ' ' LEU . 3.6 tpt -66.49 -69.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 110.958 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.452 ' HA ' HD22 ' B' ' 95' ' ' LEU . 3.8 mm-40 -37.68 -36.68 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.683 ' O ' HG22 ' B' ' 96' ' ' THR . 1.2 mp0 -76.71 -52.52 9.45 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 110.293 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.791 ' CE1' HG23 ' B' ' 118' ' ' VAL . 61.3 t80 -50.98 -19.38 1.01 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.73 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -88.73 -45.02 10.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.683 HG22 ' O ' ' B' ' 93' ' ' GLN . 4.8 t -59.84 -33.64 72.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 110.429 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.655 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 6.4 pt -66.78 -40.99 87.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.848 HD13 HG21 ' B' ' 121' ' ' VAL . 6.3 mt -84.12 160.08 58.29 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.46 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.06 -160.14 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.494 1.786 . . . . 0.0 111.005 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -76.25 -1.02 24.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.257 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.44 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 0.3 OUTLIER -54.1 -55.06 31.17 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.288 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.63 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -64.46 -31.38 53.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.505 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.3 OUTLIER -68.86 -23.56 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 1.123 . . . . 0.0 110.345 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.56 -47.92 12.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.98 -21.51 62.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 110.303 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.719 ' HA ' HD21 ' B' ' 111' ' ' LEU . 14.6 t -81.96 -53.92 10.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 109.37 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -58.1 -34.58 70.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.266 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 -51.37 -21.54 2.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.546 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 0.0 OUTLIER 74.77 162.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.258 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.546 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.5 t 91.79 27.51 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.446 1.091 . . . . 0.0 108.294 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.719 HD21 ' HA ' ' B' ' 106' ' ' VAL . 1.9 mm? -46.2 162.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.544 1.152 . . . . 0.0 109.239 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.493 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -147.51 -82.72 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 111.001 179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.48 152.86 47.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.466 1.104 . . . . 0.0 110.012 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.591 ' HA ' HD13 ' B' ' 117' ' ' ILE . 35.3 p -71.98 -29.38 64.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.945 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.6 -34.19 64.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.465 1.103 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.493 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -68.64 -37.03 79.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.672 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.6 mp -61.04 -59.24 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.791 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -55.17 -34.14 31.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -63.06 -46.1 89.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.584 1.177 . . . . 0.0 110.434 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.672 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.2 OUTLIER -59.77 -40.33 87.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.848 HG21 HD13 ' B' ' 98' ' ' LEU . 49.8 t -63.19 -44.09 99.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.591 1.182 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.25 -26.94 65.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.638 ' HA ' ' HB2' ' B' ' 127' ' ' ALA . 0.7 OUTLIER -75.13 -33.99 61.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.53 1.143 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.44 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 10.1 t80 -77.18 -37.21 54.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.105 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.666 ' NE2' HG13 ' B' ' 121' ' ' VAL . 15.7 m170 -68.49 -43.62 76.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.613 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 175.37 65.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.638 ' HB2' ' HA ' ' B' ' 123' ' ' ASP . . . -42.19 142.33 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 9.9 t -161.32 58.25 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.99 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.46 173.33 1.37 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.74 115.61 53.27 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.77 43.03 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.787 . . . . 0.0 110.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 tttp . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m 45.95 83.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 0.761 . . . . 0.0 110.009 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -140.96 95.55 2.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 0.0 109.377 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.416 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 9.9 t30 -133.68 102.72 5.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 109.242 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.5 OUTLIER 165.39 -53.44 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.261 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.508 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -75.0 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -126.37 128.93 24.29 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HG2' HD13 ' A' ' 111' ' ' LEU . 18.1 Cg_endo -75.04 -57.23 0.06 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.791 . . . . 0.0 110.963 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -146.97 28.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.305 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.53 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.6 tm? -70.66 -48.75 53.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.356 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 29.0 p -71.95 -25.41 61.86 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 108.241 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.478 ' HG3' ' CH2' ' A' ' 74' ' ' TRP . 6.7 ttt180 -64.97 -53.88 39.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.083 . . . . 0.0 110.237 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -73.31 -28.96 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 110.344 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.2 t -58.51 -59.29 5.61 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.576 1.172 . . . . 0.0 110.012 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.632 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -71.93 -45.83 59.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 111.029 179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.583 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -48.76 -31.31 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 35.6 ttt180 -94.65 31.64 1.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.348 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.692 ' HD2' HG21 ' B' ' 97' ' ' ILE . 0.1 OUTLIER -39.94 -51.72 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.476 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 77.21 99.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.312 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.494 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 13.1 t80 -43.79 92.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.137 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -165.2 -60.95 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 55' ' ' GLN . 3.7 mt-10 -37.63 -54.57 1.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 110.387 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.506 HG21 ' N ' ' A' ' 63' ' ' ALA . 1.0 OUTLIER -81.58 -48.26 18.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.475 ' N ' ' CG2' ' A' ' 57' ' ' VAL . 0.9 OUTLIER 80.91 -50.54 0.3 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.418 1.074 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -58.15 175.51 2.24 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.524 1.14 . . . . 0.0 111.019 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.491 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.04 -92.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.432 1.754 . . . . 0.0 111.016 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -50.03 -25.45 3.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 57' ' ' VAL . 1.4 mm-40 -54.04 -24.38 16.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.308 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -61.83 -58.37 8.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.621 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 2.0 mp -58.78 -27.16 64.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.154 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -59.0 -55.44 35.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.938 -179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.471 ' HG3' HG12 ' A' ' 57' ' ' VAL . 1.4 mt-30 -60.28 -49.39 77.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.457 1.098 . . . . 0.0 110.326 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.555 HD22 ' CE2' ' A' ' 49' ' ' PHE . 72.4 mt -64.14 -61.6 2.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.384 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.9 ttp180 -35.51 -38.45 0.11 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 110.29 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.84 -50.65 33.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.294 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.9 OUTLIER -61.06 -50.45 73.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.874 ' HB3' HD13 ' B' ' 89' ' ' LEU . 57.2 m -51.08 -58.53 5.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NE ' HD23 ' B' ' 86' ' ' LEU . 4.7 mtt180 -47.33 -40.02 16.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -82.27 -12.44 58.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 110.294 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.673 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.3 t90 -75.32 -55.07 6.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 107.982 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.016 HD11 HD21 ' B' ' 89' ' ' LEU . 21.1 mt -89.33 -57.66 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.591 1.182 . . . . 0.0 109.343 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.522 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 49.7 108.77 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.34 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.481 ' HB3' ' CE ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.06 90.22 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 0.0 110.957 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.72 ' O ' ' CB ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER 175.94 37.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 110.318 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.818 HD13 ' O ' ' A' ' 79' ' ' LEU . 0.4 OUTLIER 143.2 -3.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CD2' ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -145.83 35.57 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.127 . . . . 0.0 109.576 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.703 ' C ' HD12 ' A' ' 85' ' ' ILE . 15.3 t -58.85 -158.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 110.339 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.853 ' O ' HD22 ' A' ' 86' ' ' LEU . 4.0 pttp -41.37 -26.28 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 0.0 109.219 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' N ' ' C ' ' A' ' 81' ' ' THR . 3.9 mm-40 -60.84 -61.06 2.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.479 ' HB3' ' CA ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -69.53 -43.66 72.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.259 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.869 HG12 HD13 ' A' ' 75' ' ' LEU . 5.5 mt -54.89 -51.6 51.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.937 ' O ' HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -52.75 -51.64 59.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.58 -16.78 64.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.845 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.33 -55.89 10.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.057 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -66.83 -31.07 71.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 109.347 -180.0 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.122 HG22 ' HA ' ' B' ' 68' ' ' ARG . 88.8 t -57.97 -53.37 46.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.482 1.113 . . . . 0.0 109.308 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.748 ' HG3' HD11 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.59 -65.83 0.65 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.548 1.155 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.56 ' O ' ' HB ' ' A' ' 96' ' ' THR . 0.8 OUTLIER -31.9 -42.38 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.797 ' HB3' HD13 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -84.36 -38.75 19.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.305 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.941 ' CE1' HG23 ' A' ' 118' ' ' VAL . 10.9 t80 -42.95 -46.19 5.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.097 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.908 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -82.42 -44.21 16.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.302 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 92' ' ' GLU . 0.6 OUTLIER -46.06 -23.54 0.32 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.45 1.094 . . . . 0.0 110.428 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.84 HD11 ' HB1' ' B' ' 63' ' ' ALA . 4.2 pt -92.53 -35.58 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 41.6 mt -76.39 157.89 82.12 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.268 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -162.39 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.566 1.824 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -87.64 -12.72 44.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -58.44 -37.7 75.94 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.321 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.847 ' HA ' HD21 ' A' ' 120' ' ' LEU . 2.6 pp -70.31 -46.69 70.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.634 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.4 mt-30 -64.18 -21.98 66.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 110.258 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.76 -37.77 22.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.425 ' HD3' HD13 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -71.43 -28.77 64.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 102' ' ' ILE . 7.0 m -84.2 -45.3 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.83 -44.7 96.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.253 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -64.37 -70.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.572 1.17 . . . . 0.0 109.654 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.7 ttt85 -58.59 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 174.04 172.1 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 108.33 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.49 ' CD2' ' HB ' ' A' ' 106' ' ' VAL . 10.7 mt -101.98 130.36 48.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.431 ' N ' ' SD ' ' A' ' 112' ' ' MET . 2.4 mpp? -129.26 -85.31 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.095 . . . . 0.0 111.048 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.493 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 66.1 m -128.66 -173.09 2.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 11.6 p -88.13 -26.87 22.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.44 -34.71 78.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.433 ' O ' ' HB ' ' A' ' 119' ' ' THR . 10.0 mm-40 -62.94 -45.37 92.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 113' ' ' SER . 2.9 mp -59.7 -61.63 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.488 1.118 . . . . 0.0 109.357 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.941 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -53.1 -26.19 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 116' ' ' GLU . 0.6 OUTLIER -66.68 -51.47 55.71 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.566 1.166 . . . . 0.0 110.37 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.847 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -58.36 -39.82 80.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.547 1.155 . . . . 0.0 109.3 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.735 HG13 ' CE1' ' A' ' 125' ' ' HIS . 97.0 t -59.4 -46.67 92.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -69.61 -29.72 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.413 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 9.7 t70 -68.44 -32.44 72.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -95.86 -12.88 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.735 ' CE1' HG13 ' A' ' 121' ' ' VAL . 20.7 m170 -97.11 -12.27 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.572 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 166.28 44.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.411 1.069 . . . . 0.0 110.342 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.413 ' CA ' ' HA ' ' A' ' 123' ' ' ASP . . . 43.77 -163.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 48.5 p -145.76 82.72 1.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.64 174.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.16 100.59 0.22 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 147.35 33.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.488 1.783 . . . . 0.0 111.013 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 29.5 t -127.51 86.37 2.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.949 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.87 152.23 0.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.267 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -168.73 130.12 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 16.3 m -145.28 84.3 8.66 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.155 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 89.07 1.19 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.484 1.781 . . . . 0.0 110.972 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -129.96 121.66 19.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 68.69 5.65 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.535 1.808 . . . . 0.0 111.002 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 178.23 -48.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.569 HD13 ' C ' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -72.76 -52.58 14.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.513 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.8 m -58.31 -25.67 62.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 108.279 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.6 OUTLIER -79.34 -49.29 12.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.417 ' N ' ' HD3' ' B' ' 46' ' ' ARG . 3.2 tt0 -68.78 -10.9 59.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.148 . . . . 0.0 110.24 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 16.0 t -92.18 -64.85 1.06 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 109.992 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.635 ' CZ ' ' OE1' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -51.97 -37.87 54.55 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.945 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.62 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -58.07 123.05 14.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.352 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 36.7 ttt180 73.38 48.6 0.15 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.103 . . . . 0.0 110.264 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.528 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 0.6 OUTLIER -56.2 -54.77 41.25 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 110.95 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.528 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 3.1 t 90.41 101.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.585 1.178 . . . . 0.0 108.407 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.717 ' HD1' HD12 ' A' ' 97' ' ' ILE . 16.2 t80 -37.31 93.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.99 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 53' ' ' CYS . 0.0 OUTLIER -97.11 18.85 13.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.157 . . . . 0.0 110.239 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' B' ' 57' ' ' VAL . 4.0 mm-40 69.02 67.57 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.765 HG23 ' O ' ' B' ' 59' ' ' GLY . 2.2 m -55.0 -169.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -76.57 43.65 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.01 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.765 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 132.4 -174.04 20.53 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -72.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.812 ' O ' HD12 ' B' ' 64' ' ' LEU . 0.1 OUTLIER -49.1 -21.86 0.82 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.328 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.578 ' C ' HG21 ' B' ' 57' ' ' VAL . 49.4 mm-40 -63.3 -10.62 17.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.84 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.67 -66.08 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.812 HD12 ' O ' ' B' ' 61' ' ' GLN . 0.2 OUTLIER -72.01 -22.57 61.39 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.484 ' CB ' ' HA ' ' B' ' 62' ' ' GLU . 4.6 t -56.83 -54.43 46.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.974 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.09 -45.7 80.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.28 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.797 HD13 ' HB3' ' A' ' 93' ' ' GLN . 48.7 mt -63.09 -28.76 70.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 1.122 ' HA ' HG22 ' A' ' 90' ' ' VAL . 0.8 OUTLIER -65.54 -51.33 60.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.488 HE21 HD23 ' B' ' 70' ' ' LEU . 2.6 pt20 -53.41 -39.33 64.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.275 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' B' ' 49' ' ' PHE . 0.7 OUTLIER -78.08 -25.0 47.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.683 ' SG ' ' N ' ' B' ' 72' ' ' ARG . 0.5 OUTLIER -63.79 -53.95 42.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 108.254 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.683 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttm-85 -65.07 -33.58 76.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.33 -16.25 57.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.721 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.5 t90 -73.08 -56.37 5.22 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.057 HD11 HD21 ' A' ' 89' ' ' LEU . 3.2 mt -90.28 -57.49 2.82 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.331 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.561 ' O ' ' O ' ' B' ' 75' ' ' LEU . 7.5 tt0 43.59 104.82 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.524 1.14 . . . . 0.0 110.269 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.575 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.2 Cg_endo -75.04 -167.11 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.575 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.2 OUTLIER 91.96 24.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.367 -179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 2.5 pp 174.84 -32.13 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.117 . . . . 0.0 109.255 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -123.64 103.01 8.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.603 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.1 t -61.12 -163.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.399 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.597 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -67.21 -4.37 10.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.461 1.101 . . . . 0.0 109.342 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.836 ' H ' HG23 ' B' ' 81' ' ' THR . 1.8 tt0 -63.8 -46.44 85.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.283 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -68.64 -48.33 64.3 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.785 HG22 ' CD1' ' A' ' 75' ' ' LEU . 5.8 mt -60.13 -48.23 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.095 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.824 ' HA ' HD11 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -53.93 -42.97 69.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.591 1.182 . . . . 0.0 109.34 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.402 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 45.3 mt-10 -73.58 -13.79 61.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.881 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -71.53 -59.82 2.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -69.46 -35.96 76.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 0.0 109.231 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.776 HG23 ' O ' ' B' ' 86' ' ' LEU . 54.3 t -62.06 -40.75 88.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.569 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.2 OUTLIER -67.58 -71.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 110.996 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.492 ' HA ' HD22 ' B' ' 95' ' ' LEU . 9.4 pt-20 -37.62 -38.6 0.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.888 ' O ' HG22 ' B' ' 96' ' ' THR . 2.3 mp0 -74.04 -55.0 6.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.721 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -43.94 -27.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.788 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.63 -42.85 19.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.888 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.5 t -55.39 -30.17 59.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.513 1.133 . . . . 0.0 110.39 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 31.9 pt -79.31 -43.43 23.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.642 ' CD1' HG21 ' B' ' 102' ' ' ILE . 13.6 mt -66.37 158.24 78.73 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.376 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.401 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.03 -161.24 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.472 1.775 . . . . 0.0 110.99 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.73 -19.55 48.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.292 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.514 ' HB3' HD11 ' B' ' 120' ' ' LEU . 7.3 mm-40 -46.31 -49.62 17.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.255 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.642 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.7 pp -64.73 -39.77 86.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.62 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.5 OUTLIER -62.69 -27.11 69.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.316 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.413 ' O ' ' HG2' ' B' ' 107' ' ' ARG . . . -78.46 -36.16 45.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.455 ' HG2' ' CD2' ' B' ' 111' ' ' LEU . 1.8 ttm180 -72.07 -44.33 63.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.354 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.692 HG23 ' HG ' ' B' ' 111' ' ' LEU . 11.7 p -64.16 -55.19 23.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.125 . . . . 0.0 109.359 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.543 ' N ' HG13 ' B' ' 106' ' ' VAL . 27.6 ptt85 -55.89 -36.47 67.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.097 . . . . 0.0 110.332 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.14 -72.93 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.453 1.096 . . . . 0.0 109.648 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 6.0 tpm_? -130.83 -57.15 1.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 170.44 158.76 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 108.292 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.947 HD13 HG12 ' B' ' 117' ' ' ILE . 42.4 mt -96.64 160.48 14.36 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.477 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 50.5 ttp -104.54 -80.84 0.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.181 . . . . 0.0 110.977 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.562 ' O ' HD12 ' B' ' 117' ' ' ILE . 2.7 m -128.68 143.1 50.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.994 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 25.5 p -45.31 -25.35 0.38 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.399 1.062 . . . . 0.0 109.986 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.415 ' N ' ' C ' ' B' ' 113' ' ' SER . 1.6 mptt -65.61 -43.9 88.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.477 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 4.4 tt0 -66.06 -55.42 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 110.243 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.947 HG12 HD13 ' B' ' 111' ' ' LEU . 4.2 mp -45.79 -60.09 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.721 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.85 -36.1 36.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.304 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.87 -43.21 90.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.463 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.616 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -62.28 -49.11 76.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.071 . . . . 0.0 109.249 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.588 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -58.51 -33.78 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.248 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -64.58 -48.47 74.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -63.34 -29.33 70.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 109.243 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -74.21 -47.31 36.33 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.588 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.7 m170 -65.53 -26.68 68.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.088 . . . . 0.0 109.584 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 56.8 mtp180 -81.86 -46.41 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.294 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.24 168.65 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.25 57.89 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.421 1.075 . . . . 0.0 109.979 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 22.5 mttt -130.18 158.55 39.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 159.68 44.26 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 157.62 42.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.446 1.761 . . . . 0.0 111.056 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.6 mmmm . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 84.8 p -176.78 172.94 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.751 . . . . 0.0 110.056 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.82 179.21 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -151.66 102.52 2.87 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.504 1.127 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.418 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 56.8 m 42.54 65.19 5.36 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 108.298 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD3' ' N ' ' A' ' 39' ' ' CYS . 18.1 Cg_endo -75.03 114.06 3.94 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.429 1.752 . . . . 0.0 110.953 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.25 124.46 37.27 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.345 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.91 3.18 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 168.92 39.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 110.248 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -80.41 -60.97 2.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 109.283 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.665 ' N ' HD13 ' A' ' 44' ' ' LEU . 47.4 m -58.54 -28.19 65.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 108.304 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 5.0 mtp-105 -68.79 -62.44 1.38 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 20.9 tm0? -62.59 -20.41 64.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.135 . . . . 0.0 110.343 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.65 -56.58 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.97 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 1.102 ' CG ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -69.87 -36.01 75.13 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.986 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.499 ' HG3' ' N ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -65.4 -29.57 70.29 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.499 ' N ' ' HG3' ' A' ' 50' ' ' ARG . 1.3 ttt180 -99.03 25.66 6.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.75 ' CE2' HD13 ' B' ' 97' ' ' ILE . 9.9 t80 -47.74 -45.69 29.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.961 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.607 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.3 p 36.92 87.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 108.341 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.607 ' C ' ' O ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER 17.83 57.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tt0 -93.93 -96.96 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.6 OUTLIER -31.28 -72.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.604 1.19 . . . . 0.0 110.269 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 27.1 m -97.89 159.92 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.125 . . . . 0.0 109.267 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.88 15.87 5.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.008 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' OH ' ' A' ' 54' ' ' TYR . . . -85.56 -172.94 49.35 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.499 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -87.07 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.499 1.789 . . . . 0.0 110.982 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.493 ' CG ' HG11 ' B' ' 118' ' ' VAL . 13.6 mt-30 -69.48 -9.84 55.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.6 OUTLIER -56.46 -38.82 72.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.29 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -55.0 -59.69 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.856 HD23 HG12 ' B' ' 90' ' ' VAL . 2.6 mp -60.0 -23.34 63.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.326 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -59.12 -57.04 14.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.001 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.23 -48.66 67.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.37 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.718 HD11 HG21 ' B' ' 97' ' ' ILE . 91.6 mt -57.86 -46.83 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.581 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 5.2 ttt180 -60.36 -26.53 66.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.345 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -55.76 8.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.273 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.102 HD22 ' CG ' ' A' ' 49' ' ' PHE . 4.9 tt -70.16 -27.24 64.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.684 ' SG ' HD13 ' B' ' 89' ' ' LEU . 4.5 m -67.39 -64.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -48.92 -36.64 17.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.262 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -83.0 -17.81 42.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 110.368 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.817 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.0 t90 -65.1 -54.86 23.52 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.483 1.114 . . . . 0.0 108.008 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.992 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.58 -55.73 2.82 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.49 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.8 OUTLIER 56.78 125.65 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.463 ' HG3' ' CG ' ' B' ' 82' ' ' LYS . 18.2 Cg_endo -75.0 150.04 37.54 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.481 1.779 . . . . 0.0 110.977 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.52 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mt-10 178.93 62.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.273 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.52 HD12 ' O ' ' A' ' 78' ' ' GLU . 1.1 mp 76.69 45.44 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.252 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.529 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER -163.61 147.35 10.34 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.459 1.099 . . . . 0.0 109.63 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.541 HG23 ' N ' ' A' ' 82' ' ' LYS . 11.6 t -110.2 -154.83 0.55 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.431 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.912 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -58.06 -8.12 0.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -60.48 -56.27 23.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.567 1.167 . . . . 0.0 110.23 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.408 ' OE1' ' ND1' ' A' ' 80' ' ' HIS . 1.0 OUTLIER -63.59 -45.47 90.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.884 HG22 HD13 ' B' ' 75' ' ' LEU . 2.0 mp -56.8 -46.76 83.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.353 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.912 HD13 ' O ' ' A' ' 82' ' ' LYS . 8.1 mp -55.91 -44.06 77.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.535 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.1 mt-10 -73.92 -12.77 60.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.607 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -61.84 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.074 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.2 OUTLIER -68.85 -31.34 70.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 86' ' ' LEU . 48.2 t -65.96 -37.4 79.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.75 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -68.52 -67.97 0.43 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.995 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.48 ' HA ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -40.35 -41.88 1.45 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 0.0 110.289 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.869 ' O ' HG22 ' A' ' 96' ' ' THR . 5.9 tp60 -75.07 -48.65 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.673 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 17.9 t80 -43.0 -35.44 1.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.917 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -77.44 -47.89 18.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.869 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.7 t -48.94 -26.84 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 110.436 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.79 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -85.46 -36.3 10.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.291 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.616 HD13 HG21 ' A' ' 102' ' ' ILE . 12.4 mt -70.16 160.52 80.44 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.362 1.039 . . . . 0.0 109.254 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.1 Cg_endo -75.08 -161.31 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.557 1.82 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 103' ' ' GLN . 0.0 OUTLIER -81.35 -25.9 36.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 110.311 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.543 ' HG3' ' CZ ' ' A' ' 124' ' ' PHE . 8.3 mm-40 -43.44 -44.4 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 110.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.616 HG21 HD13 ' A' ' 98' ' ' LEU . 2.2 pp -70.56 -36.04 64.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.466 ' N ' HD12 ' A' ' 102' ' ' ILE . 1.8 tt0 -64.09 -25.59 68.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.234 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.2 -49.49 10.73 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -19.34 65.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 110.349 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -85.17 -59.29 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -39.92 34.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -81.61 148.06 29.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.103 . . . . 0.0 109.607 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -72.74 87.99 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.316 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -170.07 34.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.394 1.059 . . . . 0.0 108.287 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -98.24 156.77 16.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.485 ' HE3' ' HB2' ' A' ' 112' ' ' MET . 0.5 OUTLIER -140.16 -86.13 0.21 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.541 1.151 . . . . 0.0 111.028 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.431 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -130.19 149.7 51.78 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.579 1.175 . . . . 0.0 110.031 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.68 ' HA ' HD13 ' A' ' 117' ' ' ILE . 8.2 t -45.38 -36.14 4.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.162 . . . . 0.0 110.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -57.52 -42.4 82.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -61.92 -39.68 92.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.25 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.68 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -57.65 -62.96 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.273 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.673 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.83 -26.93 21.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -66.85 -44.26 81.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.385 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.508 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.3 OUTLIER -62.04 -47.72 83.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.71 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 44.9 t -67.94 -25.06 31.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.551 ' O ' ' CB ' ' A' ' 126' ' ' ARG . 20.2 tt0 -66.35 -53.38 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.203 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.69 -11.33 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.45 1.094 . . . . 0.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.543 ' CZ ' ' HG3' ' A' ' 101' ' ' GLU . 70.6 t80 -73.99 -67.63 0.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.71 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 0.4 OUTLIER -71.07 -16.62 62.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.635 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 122' ' ' GLU . 5.6 ttt85 -82.81 -50.41 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.279 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.75 -145.56 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 58.6 m -57.99 -82.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.968 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.15 -163.28 0.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.23 85.34 49.66 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.445 1.091 . . . . 0.0 109.356 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 158.41 42.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.992 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.277 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.83 -170.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 0.745 . . . . 0.0 109.991 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 20.66 17.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -126.66 12.44 7.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 29.3 p -158.19 134.29 6.2 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 108.275 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 68.68 5.8 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.452 1.764 . . . . 0.0 110.937 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.37 163.6 0.14 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -166.18 0.33 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.463 1.77 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -141.24 -44.05 0.37 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.219 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.805 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.2 OUTLIER -67.36 -55.19 14.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.805 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.8 OUTLIER -74.53 -35.31 63.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 108.322 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER -60.76 -33.29 72.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.416 1.073 . . . . 0.0 110.278 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -84.35 -38.09 20.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.509 ' OG ' ' CD2' ' B' ' 49' ' ' PHE . 24.7 p -50.72 -52.62 38.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 109.984 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.961 ' CD1' HD11 ' B' ' 70' ' ' LEU . 98.2 m-85 -92.04 -49.69 6.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 111.05 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 0.5 OUTLIER 94.25 4.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.347 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 9.6 ttt-85 86.91 78.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 110.282 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.622 ' CE1' ' HB3' ' B' ' 66' ' ' GLN . 60.4 t80 -48.87 -46.8 42.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 20.8 t 62.17 116.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.579 1.175 . . . . 0.0 108.277 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.461 ' HD1' HD12 ' A' ' 97' ' ' ILE . 1.2 t80 -40.49 -31.24 0.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 111.043 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -52.91 -29.87 30.96 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.572 1.17 . . . . 0.0 110.31 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.554 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 3.6 mm-40 -44.6 -89.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' B' ' 58' ' ' SER . 27.3 m -77.96 -41.54 27.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 88.97 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.58 1.175 . . . . 0.0 110.041 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.75 172.52 10.19 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.495 1.122 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.456 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -91.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.495 1.787 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -53.49 -23.66 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.255 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.506 ' C ' HG21 ' B' ' 57' ' ' VAL . 17.3 tt0 -55.11 -27.34 44.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 1.088 . . . . 0.0 110.284 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.79 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -59.61 -55.32 35.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.601 ' O ' ' CB ' ' B' ' 68' ' ' ARG . 1.8 mp -65.32 -23.25 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.1 t -58.58 -59.83 4.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.463 1.102 . . . . 0.0 109.945 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.622 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.8 OUTLIER -64.63 -50.41 67.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.637 1.21 . . . . 0.0 110.311 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 97' ' ' ILE . 58.4 mt -56.08 -48.63 75.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.601 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -57.5 -27.29 62.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -55.15 12.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.961 HD11 ' CD1' ' B' ' 49' ' ' PHE . 2.8 pp -70.07 -34.02 72.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 109.34 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.592 ' SG ' HG22 ' A' ' 90' ' ' VAL . 9.0 m -59.5 -67.25 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 108.26 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.407 ' HA ' ' HG ' ' A' ' 86' ' ' LEU . 18.5 ttt180 -50.44 -34.13 23.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.33 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.18 -16.46 59.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.108 . . . . 0.0 110.255 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.1 t90 -84.23 -54.39 4.83 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.074 ' CD1' HD21 ' A' ' 89' ' ' LEU . 6.9 mt -74.7 -64.53 1.02 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.533 ' C ' ' O ' ' B' ' 75' ' ' LEU . 5.6 pt20 26.6 75.11 0.32 Allowed Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.513 1.133 . . . . 0.0 110.261 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 174.17 13.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.448 1.762 . . . . 0.0 110.998 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -107.47 -35.49 6.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.963 ' HB3' HG22 ' B' ' 81' ' ' THR . 2.5 tp -95.82 -32.44 12.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 1.168 . . . . 0.0 109.281 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.61 ' CD2' ' C ' ' B' ' 79' ' ' LEU . 1.7 m170 87.38 -27.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.6 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.963 HG22 ' HB3' ' B' ' 79' ' ' LEU . 1.7 t -62.89 168.62 3.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.509 ' O ' ' HB2' ' B' ' 86' ' ' LEU . 3.8 pttt -60.19 -7.88 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.809 ' HB2' HG23 ' B' ' 81' ' ' THR . 46.1 mt-10 -63.77 -59.7 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 52.1 mm-40 -72.29 -43.09 64.74 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.332 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.841 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -51.98 -56.02 7.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 109.28 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.735 ' O ' HD12 ' B' ' 89' ' ' LEU . 1.1 mp -55.09 -55.7 28.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 109.345 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.522 ' O ' ' CB ' ' B' ' 91' ' ' MET . 26.6 tt0 -61.21 -11.94 11.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.357 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.688 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.45 -68.89 0.44 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.992 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.97 -30.01 68.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.145 . . . . 0.0 109.378 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.856 HG12 HD23 ' A' ' 64' ' ' LEU . 55.1 t -67.29 -37.84 79.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.62 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -70.24 -72.27 0.21 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.557 ' HA ' HD22 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -39.3 -40.74 0.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.36 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.975 ' O ' HG22 ' B' ' 96' ' ' THR . 60.9 mm-40 -71.2 -56.45 6.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.35 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.098 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 30.6 t80 -44.47 -34.14 1.96 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.699 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -69.92 -44.49 69.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.975 HG22 ' O ' ' B' ' 93' ' ' GLN . 6.2 t -61.3 -27.42 68.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 110.375 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.75 HD13 ' CE2' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -81.76 -35.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.242 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.098 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.3 mt -72.3 163.14 69.74 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.476 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.6 Cg_endo -74.94 -160.21 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 111.054 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 33.9 mp0 -84.72 -29.34 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.298 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.795 ' HG3' HD11 ' B' ' 120' ' ' LEU . 11.0 pt-20 -43.34 -41.73 4.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.765 HG22 HD21 ' B' ' 120' ' ' LEU . 1.6 pp -71.81 -42.62 69.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 109.304 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.762 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.5 mt-30 -55.46 -26.17 40.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.566 1.167 . . . . 0.0 110.331 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.49 -44.46 13.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.35 -27.5 69.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 102' ' ' ILE . 31.9 m -90.44 -34.44 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.271 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.54 ' CD ' ' O ' ' B' ' 103' ' ' GLN . 0.0 OUTLIER -56.26 -49.9 72.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.335 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.42 ' O ' ' C ' ' B' ' 109' ' ' ARG . 0.4 OUTLIER -73.24 107.58 5.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.608 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.3 OUTLIER -36.46 98.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.122 . . . . 0.0 110.31 179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.417 ' N ' ' O ' ' B' ' 108' ' ' HIS . 0.1 OUTLIER 175.02 46.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 108.303 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -97.04 163.56 12.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.414 ' HE3' ' HB2' ' B' ' 112' ' ' MET . 0.9 OUTLIER -140.01 -85.16 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.947 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.541 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 0.4 OUTLIER -129.64 -177.01 4.09 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 81.7 p -76.38 -39.92 52.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.968 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.67 -25.36 53.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -55.76 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.679 HD12 ' H ' ' B' ' 117' ' ' ILE . 4.2 mp -53.14 -43.62 49.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.292 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.846 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 t -61.78 -43.37 97.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.37 -38.81 74.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.795 HD11 ' HG3' ' B' ' 101' ' ' GLU . 0.2 OUTLIER -64.13 -50.15 69.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.403 1.064 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 1.065 HG21 HD13 ' B' ' 98' ' ' LEU . 39.3 t -57.61 -33.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.129 . . . . 0.0 109.353 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.24 -35.47 58.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.314 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -64.7 -31.17 72.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.74 -43.45 16.78 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.543 1.152 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.57 ' CE1' HG13 ' B' ' 121' ' ' VAL . 23.0 m170 -71.31 -15.81 62.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.165 . . . . 0.0 109.646 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 7.3 ttt180 -97.71 -41.95 7.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.38 -140.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 67.45 46.27 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.06 -65.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -121.08 147.2 46.04 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.298 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 142.83 28.48 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.579 1.831 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 20.6 mttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 171.39 7.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 0.772 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.03 27.85 5.36 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.117 . . . . 0.0 109.226 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -125.29 -163.89 1.24 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.464 1.103 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.401 ' N ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER -136.28 66.03 58.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 108.324 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.417 ' CB ' ' HB2' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -75.04 118.95 5.44 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.469 1.773 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' CB ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER 169.88 166.77 0.19 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.259 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -81.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.002 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -119.1 22.57 11.8 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.361 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB3' ' CB ' ' A' ' 41' ' ' ASP . 2.3 tm? -75.16 -50.42 16.34 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.401 ' HB3' ' NH2' ' A' ' 46' ' ' ARG . 21.0 t -56.29 -31.29 63.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 108.378 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' O ' ' CD2' ' A' ' 49' ' ' PHE . 2.6 mmp_? -68.79 -72.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 0.0 110.335 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.544 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 53.7 mt-30 -53.64 -23.5 11.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.7 t -66.14 -64.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.032 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.791 ' O ' HD22 ' A' ' 70' ' ' LEU . 0.1 OUTLIER -47.7 -27.39 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 111.028 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.678 ' HG2' HD21 ' A' ' 67' ' ' LEU . 6.6 tpp180 -113.93 -92.88 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.544 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER 64.37 47.05 3.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.607 1.192 . . . . 0.0 110.347 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.571 ' HE2' HG22 ' A' ' 57' ' ' VAL . 0.0 OUTLIER -76.75 -80.68 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.523 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 1.8 t 89.31 19.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.386 1.053 . . . . 0.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.0 OUTLIER 60.26 14.07 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.84 -13.03 29.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.304 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' CB ' ' CE1' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -82.59 -76.98 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.603 HG21 ' C ' ' A' ' 62' ' ' GLU . 11.3 m -92.69 134.73 29.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 78.3 p -91.8 2.09 56.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -95.68 167.65 25.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -78.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.498 1.788 . . . . 0.0 110.984 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -58.14 -22.0 49.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.544 1.153 . . . . 0.0 110.275 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.603 ' C ' HG21 ' A' ' 57' ' ' VAL . 6.4 tt0 -54.79 -27.57 42.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.085 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.638 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -58.25 -59.98 4.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.573 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 1.6 mp -63.77 -26.84 68.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 6.4 t -51.31 -64.56 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.978 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -61.98 -48.59 79.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.678 HD21 ' HG2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -53.7 -66.03 0.46 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.446 1.091 . . . . 0.0 109.334 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.718 ' HA ' HG21 ' B' ' 90' ' ' VAL . 5.4 ttt180 -40.91 -32.45 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.56 -61.5 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.287 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.791 HD22 ' O ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -60.18 -59.89 4.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.3 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.928 ' HB3' HD13 ' B' ' 89' ' ' LEU . 33.3 m -43.76 -55.68 4.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.527 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 0.8 OUTLIER -46.9 -39.3 11.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.5 tt0 -82.27 -14.78 54.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.972 ' CZ2' HD11 ' A' ' 88' ' ' LEU . 4.4 t90 -68.99 -56.74 6.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 107.964 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.983 HD11 HD21 ' B' ' 89' ' ' LEU . 0.3 OUTLIER -97.6 -54.32 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.256 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.576 ' O ' ' O ' ' A' ' 75' ' ' LEU . 34.3 tt0 50.26 116.06 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.279 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.508 ' HB3' ' CG ' ' B' ' 82' ' ' LYS . 18.3 Cg_endo -74.96 57.66 4.62 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.25 -2.6 9.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.12 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -176.26 -46.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.708 ' N ' HD12 ' A' ' 79' ' ' LEU . 5.5 m170 -69.68 91.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 109.62 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.792 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.6 t -80.42 -163.77 0.61 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.386 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -56.71 -15.74 5.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.305 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.792 ' H ' HG23 ' A' ' 81' ' ' THR . 0.4 OUTLIER -63.35 -59.61 4.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.286 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 80' ' ' HIS . 5.7 tm0? -68.22 -41.39 81.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 110.333 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.953 ' CG1' HG21 ' B' ' 85' ' ' ILE . 0.7 OUTLIER -56.19 -59.12 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.777 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -50.87 -51.49 50.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' MET . 20.8 tt0 -62.88 -19.74 64.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.416 1.072 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.972 HD11 ' CZ2' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.31 -63.85 1.03 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 109.345 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.046 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -73.19 -39.05 65.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 109.34 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 86' ' ' LEU . 40.1 t -54.8 -39.57 48.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.663 ' HG3' HD21 ' A' ' 95' ' ' LEU . 2.3 tpt -73.38 -68.37 0.5 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.15 . . . . 0.0 111.016 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.513 ' HA ' HD22 ' A' ' 95' ' ' LEU . 1.6 tm-20 -35.94 -35.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.966 ' O ' HG23 ' A' ' 97' ' ' ILE . 0.3 OUTLIER -76.4 -50.63 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.27 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.81 ' CE1' HG23 ' A' ' 118' ' ' VAL . 77.5 t80 -52.44 -19.3 2.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.769 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.78 -44.36 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.522 HG22 ' O ' ' A' ' 93' ' ' GLN . 5.5 t -68.39 -28.14 66.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.966 HG23 ' O ' ' A' ' 93' ' ' GLN . 9.5 pt -71.65 -44.91 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD11 ' CE1' ' A' ' 94' ' ' PHE . 11.0 mt -82.79 145.4 50.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.608 1.193 . . . . 0.0 109.262 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.466 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.6 Cg_endo -74.93 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.453 1.765 . . . . 0.0 111.062 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.99 -0.14 57.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 110.241 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -66.04 -30.56 71.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.732 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.2 OUTLIER -73.83 -47.26 44.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.732 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.2 pt20 -63.85 -26.48 68.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.588 1.18 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.56 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -76.97 -58.9 3.02 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.509 1.131 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.8 tpt180 -60.67 -11.64 7.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 110.261 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.947 HG23 ' CD2' ' A' ' 120' ' ' LEU . 2.3 t -93.88 -78.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 1.084 . . . . 0.0 109.278 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.664 ' N ' HG12 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -101.01 -18.29 16.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.328 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.637 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 6.2 t-80 98.71 -6.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.562 1.164 . . . . 0.0 109.579 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 168.19 44.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 110.29 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -178.67 167.46 1.75 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.113 . . . . 0.0 108.248 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.706 HD23 ' HB2' ' A' ' 103' ' ' GLN . 14.5 mt -109.77 164.91 12.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.687 ' SD ' HG13 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -142.97 -67.47 0.36 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.155 . . . . 0.0 110.962 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 1.1 t -129.48 132.01 46.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.4 p -54.24 -43.81 71.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 109.914 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.418 ' O ' ' CB ' ' A' ' 119' ' ' THR . 1.4 ttmt -57.72 -40.94 80.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.51 ' CB ' ' HE2' ' A' ' 112' ' ' MET . 22.5 tp10 -62.22 -34.72 77.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.724 ' O ' HG23 ' A' ' 121' ' ' VAL . 1.8 mp -65.52 -68.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.153 . . . . 0.0 109.29 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.81 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -55.7 -17.8 3.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -69.57 -62.16 1.49 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.393 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.947 ' CD2' HG23 ' A' ' 106' ' ' VAL . 1.6 pp -56.16 -45.42 79.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 117' ' ' ILE . 6.3 t -61.34 -37.88 78.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.531 1.144 . . . . 0.0 109.261 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.488 ' HB2' ' CB ' ' B' ' 60' ' ' PRO . 17.3 tt0 -61.43 -43.31 99.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.571 1.169 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.69 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.6 m-20 -65.42 -32.09 73.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.306 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -67.27 -41.5 85.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.979 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.8 m170 -66.14 -49.32 67.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.656 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 31.0 ttt180 176.99 69.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 110.315 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.69 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -44.0 125.89 4.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 27.8 t -161.25 28.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.18 . . . . 0.0 110.004 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 2.6 mmtt 58.56 101.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.53 100.51 2.05 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.58 1.175 . . . . 0.0 109.349 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 160.74 40.11 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.431 ' HE2' ' CB ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.439 1.087 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -178.73 147.14 0.36 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 110.053 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.01 152.54 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -175.25 125.72 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.344 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 25.4 p -136.93 133.42 18.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 108.32 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 140.46 25.32 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.435 1.756 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 79.5 m-20 -120.03 145.59 40.23 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.26 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.3 Cg_endo -74.99 54.44 3.63 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.493 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 3.3 mt-10 161.54 41.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 110.303 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.581 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.1 tm? -80.2 -57.41 3.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.42 1.075 . . . . 0.0 109.341 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.575 ' N ' HD13 ' B' ' 44' ' ' LEU . 12.8 m -55.61 -22.87 24.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 108.265 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.567 ' CG ' ' CD1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -78.16 -63.24 1.44 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -63.13 -10.19 13.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.3 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.4 t -88.72 -54.3 4.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.407 1.067 . . . . 0.0 110.001 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.663 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -57.08 -32.56 66.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.43 1.082 . . . . 0.0 111.045 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.561 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 1.4 mmm180 -38.95 97.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 0.0 110.302 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.474 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 4.4 ttp180 81.99 59.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.166 . . . . 0.0 110.298 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.657 ' C ' ' CD1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -45.31 -48.49 13.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.554 1.159 . . . . 0.0 110.957 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.609 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER 66.99 118.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 108.327 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.59 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -33.54 139.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.976 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.479 ' CB ' ' O ' ' B' ' 54' ' ' TYR . 2.7 mt-30 162.25 -81.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.291 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' B' ' 55' ' ' GLN . 1.0 OUTLIER -34.3 -60.17 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.503 1.127 . . . . 0.0 110.248 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.571 HG21 ' HA ' ' B' ' 63' ' ' ALA . 8.9 m -90.94 142.19 13.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.569 1.168 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 2.2 t -112.24 23.57 13.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.934 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -125.81 -179.99 15.98 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.466 1.104 . . . . 0.0 110.951 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.488 ' CB ' ' HB2' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -75.03 -89.98 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.431 ' CB ' ' HE2' ' A' ' 132' ' ' LYS . 16.5 pt20 -52.15 -20.83 2.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.268 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.54 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.6 tp10 -53.63 -26.95 24.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.68 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -60.3 -55.56 32.14 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.554 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.9 mp -62.33 -27.58 69.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.7 t -57.44 -58.19 9.37 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 110.063 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.12 -44.21 91.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.663 HD22 ' CE2' ' B' ' 49' ' ' PHE . 84.9 mt -64.21 -68.08 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.51 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.0 OUTLIER -33.6 -35.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' B' ' 67' ' ' LEU . 21.4 tt0 -72.35 -52.95 13.85 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.533 HD13 ' HB2' ' B' ' 49' ' ' PHE . 10.9 mt -64.55 -47.2 79.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 109.317 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.856 ' HB3' HD13 ' A' ' 89' ' ' LEU . 51.8 m -53.71 -59.73 4.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.447 1.092 . . . . 0.0 108.291 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -46.95 -39.03 11.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 12.3 mm-40 -83.76 -13.44 53.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.269 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.759 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.3 t90 -70.07 -55.37 9.68 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -97.09 -51.35 4.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.397 1.061 . . . . 0.0 109.331 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.451 ' O ' ' O ' ' B' ' 75' ' ' LEU . 1.3 tm0? 39.59 95.21 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.533 1.146 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 63.04 5.99 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.538 1.81 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -107.69 6.53 27.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.552 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.6 pp -172.16 -38.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.137 . . . . 0.0 109.345 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.552 ' N ' HD12 ' B' ' 79' ' ' LEU . 13.4 m170 -99.9 114.53 27.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.612 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 83' ' ' GLU . 8.9 t -60.18 -161.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.821 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -68.11 -4.26 13.07 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.329 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.813 ' H ' HG23 ' B' ' 81' ' ' THR . 4.7 tt0 -59.42 -48.21 82.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -60.6 -42.91 97.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.278 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.953 HG21 ' CG1' ' A' ' 85' ' ' ILE . 3.1 mt -64.69 -50.33 76.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.887 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.8 mp -53.78 -33.78 56.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.416 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.1 OUTLIER -80.82 -20.27 42.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.939 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.58 -57.2 10.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.26 -40.88 86.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.326 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.887 HG23 ' O ' ' B' ' 86' ' ' LEU . 70.7 t -59.17 -36.96 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.674 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -69.79 -74.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 111.021 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.495 ' C ' ' O ' ' B' ' 91' ' ' MET . 1.4 tt0 -31.22 -43.7 0.06 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.443 1.09 . . . . 0.0 110.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.677 ' HB3' HD21 ' A' ' 67' ' ' LEU . 27.3 mm-40 -78.53 -54.13 6.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.399 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.796 ' CE1' HG23 ' B' ' 118' ' ' VAL . 8.8 t80 -43.47 -22.19 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.108 . . . . 0.0 110.982 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.816 ' HB3' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -91.1 -48.41 6.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.256 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.3 t -52.96 -32.93 48.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 110.396 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.638 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.4 pt -66.84 -30.86 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.384 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.538 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -89.05 -178.5 1.04 Allowed Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.459 1.099 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.524 ' CD ' ' CB ' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -160.12 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' B' ' 103' ' ' GLN . 12.3 pt-20 -88.91 -26.35 21.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 110.271 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -46.53 -35.75 6.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 110.283 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.816 HD13 ' HB3' ' B' ' 95' ' ' LEU . 2.3 pp -66.34 -36.89 78.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.369 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.64 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.9 mt-30 -69.42 -31.02 69.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 1.142 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.11 -51.13 49.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.339 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.563 ' HG3' HD22 ' B' ' 120' ' ' LEU . 1.2 mtt-85 -71.48 -29.41 64.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.346 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.716 HG23 ' O ' ' B' ' 102' ' ' ILE . 3.0 t -65.34 -43.62 94.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -69.9 -65.78 0.68 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.506 ' C ' ' O ' ' B' ' 107' ' ' ARG . 5.5 t-160 31.95 -119.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.137 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.484 ' N ' ' CD2' ' B' ' 108' ' ' HIS . 0.4 OUTLIER 162.98 73.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.255 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 167.89 -75.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -95.71 164.51 12.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.288 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.426 ' C ' ' CE ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -174.27 71.24 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.42 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 39.6 m -113.94 133.64 55.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 87.1 p -54.16 -42.65 69.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.009 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -57.02 -38.02 72.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -33.92 76.91 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.492 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.9 mp -64.63 -60.74 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.5 OUTLIER -57.74 -25.95 26.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.21 -49.32 67.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 110.36 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.563 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -60.82 -43.12 98.64 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.531 1.144 . . . . 0.0 109.322 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.609 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 48.3 t -63.12 -39.6 85.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -63.96 -37.45 87.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.274 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -63.13 -50.11 71.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.388 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -53.84 -48.52 69.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.609 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.8 m170 -54.32 -53.65 50.91 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.135 . . . . 0.0 109.636 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.447 ' O ' ' C ' ' B' ' 127' ' ' ALA . 0.1 OUTLIER 166.32 39.51 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.157 . . . . 0.0 110.268 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' B' ' 126' ' ' ARG . . . 36.66 -153.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -164.13 34.85 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.471 1.107 . . . . 0.0 110.069 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 68.47 73.05 0.29 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.01 117.07 64.83 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.315 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 162.99 35.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.447 1.762 . . . . 0.0 110.979 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.269 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.8 p -79.16 135.34 36.79 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.444 0.732 . . . . 0.0 109.946 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -173.14 111.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -41.64 159.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.158 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -149.43 130.04 6.93 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.14 . . . . 0.0 108.358 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 92.99 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.52 1.8 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.74 95.41 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -27.9 9.52 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.547 1.814 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 65.66 34.89 7.34 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.368 1.042 . . . . 0.0 110.308 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.26 -55.82 5.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.552 1.158 . . . . 0.0 109.321 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -28.44 69.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 108.333 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 5.0 ttt180 -65.0 -48.27 74.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -75.71 -28.26 58.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 110.273 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -60.86 -60.58 3.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.959 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.666 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -70.01 -41.82 73.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 0.0 110.994 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.632 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -51.61 -33.65 33.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 110.303 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -96.57 27.89 3.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.27 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.494 ' CB ' HD21 ' A' ' 67' ' ' LEU . 3.3 t80 -43.94 -44.45 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.986 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.628 ' H ' HG22 ' B' ' 97' ' ' ILE . 0.6 OUTLIER 69.54 129.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.311 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.565 ' HD1' HD12 ' B' ' 97' ' ' ILE . 12.8 t80 -59.79 77.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.502 ' N ' ' O ' ' A' ' 53' ' ' CYS . 0.0 OUTLIER -89.46 19.13 4.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.298 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.6 89.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -91.85 42.51 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 109.266 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.573 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 1.1 t 91.55 -15.24 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.427 1.079 . . . . 0.0 109.952 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 168.24 -173.09 43.03 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.402 1.064 . . . . 0.0 111.019 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.711 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -54.53 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.567 1.825 . . . . 0.0 110.962 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.639 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 1.3 tt0 -52.57 -21.49 3.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.332 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.513 ' CB ' ' O ' ' A' ' 57' ' ' VAL . 4.9 mm-40 -78.56 -14.22 59.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.115 . . . . 0.0 110.302 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.808 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.69 -68.4 0.35 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.668 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -64.01 -20.89 66.24 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.536 ' H ' HD22 ' A' ' 64' ' ' LEU . 49.4 m -58.91 -59.89 4.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.924 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -64.06 -40.4 96.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.579 1.175 . . . . 0.0 110.306 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.728 HD13 ' HB3' ' B' ' 93' ' ' GLN . 55.5 mt -70.32 -24.49 63.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.559 ' N ' ' O ' ' A' ' 64' ' ' LEU . 36.0 ttt180 -66.26 -43.78 85.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -44.59 64.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.4 OUTLIER -59.15 -48.7 80.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 109.342 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.976 ' HB3' HD13 ' B' ' 89' ' ' LEU . 88.8 m -55.84 -56.81 16.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.144 . . . . 0.0 108.351 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.41 -37.42 5.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.288 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -15.8 46.04 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.676 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.7 -55.27 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.105 HD11 HD21 ' B' ' 89' ' ' LEU . 17.2 mt -88.15 -57.25 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.432 1.082 . . . . 0.0 109.324 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 75' ' ' LEU . 5.1 pt20 35.3 92.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.334 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 72.2 4.69 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.48 1.779 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.594 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.7 OUTLIER -103.69 13.39 33.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.594 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 173.04 -32.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.454 ' HB3' ' CB ' ' A' ' 84' ' ' GLN . 10.3 m170 -93.67 106.19 18.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.619 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.732 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.89 -158.48 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.416 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.4 OUTLIER -66.81 -3.74 7.51 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.732 ' H ' HG23 ' A' ' 81' ' ' THR . 19.8 tt0 -64.99 -46.92 79.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.156 . . . . 0.0 110.326 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.454 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 8.7 tp60 -66.53 -45.26 80.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.738 ' CG2' HG21 ' B' ' 85' ' ' ILE . 6.1 mt -62.55 -46.9 95.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.731 ' O ' HG23 ' A' ' 90' ' ' VAL . 3.7 mp -52.59 -46.35 66.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -67.78 -24.85 65.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.312 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.789 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -61.56 -57.07 13.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.973 HD11 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.08 -41.62 97.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.458 1.099 . . . . 0.0 109.349 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.87 HG12 HD23 ' B' ' 64' ' ' LEU . 82.1 t -60.02 -36.24 66.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.187 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.888 ' O ' HD22 ' A' ' 95' ' ' LEU . 3.1 mmt -69.5 -72.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -43.69 -34.3 1.46 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' NE2' ' CE2' ' B' ' 49' ' ' PHE . 5.0 tp60 -78.46 -61.81 1.89 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.99 ' CE1' HG23 ' A' ' 118' ' ' VAL . 34.8 t80 -44.74 -22.45 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.888 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.89 -40.61 12.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.578 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.52 -34.1 77.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.402 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.823 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.2 pt -67.42 -42.7 87.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.998 HD13 HG21 ' A' ' 121' ' ' VAL . 25.0 mt -81.9 145.77 54.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.268 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.436 ' O ' ' N ' ' A' ' 101' ' ' GLU . 18.1 Cg_endo -74.98 141.62 26.91 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.496 1.787 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.482 ' O ' ' CG ' ' A' ' 103' ' ' GLN . 16.6 mt-10 -35.71 -35.42 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 99' ' ' PRO . 0.4 OUTLIER -42.28 -32.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.233 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.851 ' CB ' HD11 ' A' ' 120' ' ' LEU . 2.3 pp -68.51 -46.65 79.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 109.303 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.551 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.5 OUTLIER -64.6 -21.74 66.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.311 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.485 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -82.11 -60.26 2.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -15.66 7.23 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 117' ' ' ILE . 2.7 t -91.87 -73.73 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.601 ' O ' ' CB ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -96.02 -32.93 12.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.457 1.098 . . . . 0.0 110.341 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.601 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 5.5 t60 95.19 -2.07 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.578 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.1 OUTLIER 172.7 41.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.153 . . . . 0.0 110.25 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 162.26 -177.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 103' ' ' GLN . 3.8 mt -108.05 163.35 13.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.504 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 36.8 ttp -138.46 -79.51 0.34 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.483 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 14.1 t -126.47 131.66 51.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -48.4 -42.94 33.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.001 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -45.57 86.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.235 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.504 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 3.9 tp10 -59.85 -35.64 75.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.639 HG22 ' CZ ' ' A' ' 94' ' ' PHE . 1.9 mp -62.31 -69.84 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.388 1.055 . . . . 0.0 109.247 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.99 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.6 OUTLIER -51.39 -21.06 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.485 1.115 . . . . 0.0 109.313 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.656 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -66.33 -66.92 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 110.367 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 1.018 HD22 ' O ' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -57.91 -19.59 30.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 109.253 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.998 HG21 HD13 ' A' ' 98' ' ' LEU . 44.4 t -68.2 -46.86 80.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.451 ' CG ' ' O ' ' A' ' 119' ' ' THR . 6.4 pt-20 -73.94 -30.87 62.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -69.73 -36.39 75.82 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.487 1.117 . . . . 0.0 109.226 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -79.69 -32.13 41.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.589 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.2 m170 -83.05 -18.04 41.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.601 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -86.58 -51.04 6.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.33 159.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -44.79 3.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.055 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 161.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.407 1.067 . . . . 0.0 109.268 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.1 124.54 0.41 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.145 . . . . 0.0 109.276 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 159.35 41.39 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.545 1.813 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 109.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.93 -56.97 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 0.796 . . . . 0.0 110.032 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.48 174.64 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' B' ' 39' ' ' CYS . 1.6 m-20 59.25 159.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.357 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . 0.442 ' C ' ' O ' ' B' ' 38' ' ' ASN . 28.5 p 38.72 72.89 0.85 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 108.263 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.87 12.04 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.535 1.808 . . . . 0.0 110.973 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -141.89 152.09 61.29 Favored Pre-proline 0 C--N 1.326 -0.413 0 O-C-N 124.474 1.109 . . . . 0.0 109.252 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -34.87 3.42 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -178.23 44.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.229 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.614 HD13 ' N ' ' B' ' 45' ' ' CYS . 1.0 OUTLIER -77.83 -58.04 3.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.088 . . . . 0.0 109.288 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.614 ' N ' HD13 ' B' ' 44' ' ' LEU . 29.2 p -54.97 -25.03 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 108.298 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.491 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 61.9 ttt-85 -73.82 -61.43 1.85 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -63.38 -12.02 27.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 4.9 t -83.87 -65.97 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.035 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -64.94 -31.84 73.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 110.99 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.63 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -43.47 107.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.274 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.467 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 5.8 ttp180 81.37 62.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.326 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.487 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 4.1 t80 -50.08 -64.62 0.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.599 1.187 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.442 ' O ' ' C ' ' B' ' 54' ' ' TYR . 3.5 t 80.62 53.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 108.306 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.615 ' CD2' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 34.39 85.05 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.459 1.1 . . . . 0.0 110.979 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HB3' ' CZ ' ' B' ' 52' ' ' PHE . 25.7 tt0 -105.51 -95.32 0.35 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.532 ' O ' ' C ' ' B' ' 57' ' ' VAL . 0.1 OUTLIER -56.42 -30.47 62.84 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.47 1.106 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.72 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -29.36 122.02 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.369 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -119.7 9.9 11.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 110.035 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -167.86 -154.34 8.63 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.124 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -85.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.415 1.745 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.591 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.1 tt0 -57.85 -14.13 5.53 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -44.46 -27.76 0.49 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 110.232 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.823 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.98 -63.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.417 1.073 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.87 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -56.5 -24.55 46.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.66 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 109.969 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.33 -49.18 78.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.573 HD13 ' CG ' ' A' ' 93' ' ' GLN . 31.8 mt -57.42 -60.51 3.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.554 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.1 OUTLIER -37.77 -43.31 0.65 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.564 1.165 . . . . 0.0 110.283 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -67.59 -41.19 84.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.6 OUTLIER -72.38 -60.8 2.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.321 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.734 ' HB3' HD13 ' A' ' 89' ' ' LEU . 52.5 m -38.74 -51.53 1.69 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 108.37 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -57.42 -50.98 71.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 110.27 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.39 4.12 13.89 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.575 1.172 . . . . 0.0 110.339 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.858 ' CZ2' HD11 ' B' ' 88' ' ' LEU . 5.5 t90 -84.83 -54.08 4.91 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.505 1.128 . . . . 0.0 108.039 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.973 HD11 HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.05 -58.46 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.538 ' O ' ' O ' ' B' ' 75' ' ' LEU . 5.3 tt0 53.89 120.35 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.489 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.4 Cg_endo -74.97 98.54 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.438 1.757 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.637 ' O ' ' CB ' ' B' ' 79' ' ' LEU . 3.9 mt-10 161.08 80.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 110.239 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.742 HD13 ' O ' ' B' ' 79' ' ' LEU . 0.3 OUTLIER 98.96 -1.44 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.417 1.073 . . . . 0.0 109.231 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.574 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -162.44 37.01 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.66 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.552 ' O ' ' N ' ' B' ' 83' ' ' GLU . 14.6 t -62.18 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 110.438 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.647 ' O ' HD13 ' B' ' 86' ' ' LEU . 2.6 pttm -37.22 -28.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.379 1.049 . . . . 0.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 81' ' ' THR . 2.4 tt0 -58.37 -59.43 5.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.115 . . . . 0.0 110.308 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.461 ' HB2' ' CA ' ' B' ' 80' ' ' HIS . 3.8 tp60 -67.13 -45.22 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.738 HG21 ' CG2' ' A' ' 85' ' ' ILE . 8.8 mt -52.74 -55.98 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.834 ' O ' HD12 ' B' ' 89' ' ' LEU . 7.2 mp -47.23 -53.13 14.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.351 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 91' ' ' MET . 7.1 tt0 -64.23 -15.77 60.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 110.322 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.858 HD11 ' CZ2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.98 -66.51 0.56 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -62.82 -41.36 99.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.293 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.759 HG23 ' O ' ' B' ' 86' ' ' LEU . 71.6 t -54.35 -41.03 50.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.63 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 2.7 mmt -66.27 -71.73 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -40.33 -27.17 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.393 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.851 ' O ' HG22 ' B' ' 96' ' ' THR . 0.5 OUTLIER -78.75 -63.59 1.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.564 1.165 . . . . 0.0 110.333 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.085 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 14.9 t80 -40.96 -34.1 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.959 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -78.31 -45.44 22.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 109.267 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.851 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.8 t -48.94 -26.28 2.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 110.365 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.808 HD11 ' HB1' ' A' ' 63' ' ' ALA . 16.8 pt -90.66 -41.15 13.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.434 1.084 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.085 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 17.1 mt -53.02 159.53 1.86 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 109.321 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.41 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.0 -161.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.529 1.805 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -81.3 -27.59 35.0 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -43.47 -44.59 5.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.339 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.837 HG21 HD13 ' B' ' 98' ' ' LEU . 1.5 pp -73.32 -45.6 52.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 109.339 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.826 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -52.25 -25.18 8.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.04 -47.57 9.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.457 ' HD2' HD22 ' B' ' 120' ' ' LEU . 7.1 mtt-85 -64.66 -18.58 65.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.304 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.6 t -94.54 -50.73 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.411 1.069 . . . . 0.0 109.29 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -48.49 -41.49 30.04 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.488 1.118 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -77.12 -172.77 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.565 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 -101.75 77.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.77 23.89 0.68 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.528 1.143 . . . . 0.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.654 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -80.28 153.73 28.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.485 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 23.9 ttp -158.46 -78.64 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.49 -173.19 2.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.454 ' HA ' HG12 ' B' ' 117' ' ' ILE . 68.0 m -93.71 -29.08 15.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.994 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -32.19 72.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.485 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 10.0 tp10 -70.25 -43.88 69.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.279 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.789 ' N ' HD13 ' B' ' 117' ' ' ILE . 1.7 mm -56.36 -52.25 54.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.155 . . . . 0.0 109.372 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.97 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.0 OUTLIER -60.01 -39.47 80.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.147 . . . . 0.0 109.315 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.72 -45.1 95.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 110.414 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.689 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -57.9 -50.54 72.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.799 HG12 ' CE1' ' B' ' 125' ' ' HIS . 21.8 t -54.4 -40.44 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.525 1.141 . . . . 0.0 109.231 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -66.14 -44.31 84.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -63.37 -25.99 68.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.455 1.097 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' B' ' 101' ' ' GLU . 9.4 t80 -72.82 -49.18 32.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.799 ' CE1' HG12 ' B' ' 121' ' ' VAL . 2.2 m170 -71.29 -19.49 62.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.596 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.41 -39.73 20.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -58.38 -72.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.77 -71.18 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.98 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.416 ' HD2' ' CD2' ' B' ' 125' ' ' HIS . 1.5 tttt 43.13 50.91 5.61 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' B' ' 131' ' ' PRO . 0.0 OUTLIER -52.09 -56.03 25.58 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 0.0 109.319 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' B' ' 130' ' ' LYS . 18.3 Cg_endo -75.06 141.53 26.58 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.454 1.765 . . . . 0.0 111.006 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 6.7 ptmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.2 t -59.03 -65.92 0.59 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 0.766 . . . . 0.0 109.977 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -145.98 166.33 26.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -55.81 129.53 39.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HD3' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 167.79 -56.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.581 1.176 . . . . 0.0 108.292 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.466 ' HD3' ' CB ' ' A' ' 39' ' ' CYS . 18.4 Cg_endo -75.01 139.11 23.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.527 1.804 . . . . 0.0 111.017 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.99 69.88 1.71 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.272 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.502 1.79 . . . . 0.0 111.045 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' OE2' ' CG ' ' A' ' 103' ' ' GLN . 6.2 pt-20 -66.95 -19.46 65.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.43 1.081 . . . . 0.0 110.32 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.494 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -71.45 -51.72 22.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 99.3 m -65.82 -27.01 67.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.55 1.156 . . . . 0.0 108.3 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.431 ' HD2' ' CD1' ' A' ' 74' ' ' TRP . 6.2 mpp_? -73.2 -33.67 65.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 110.224 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.0 OUTLIER -80.53 -27.85 37.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 110.308 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.1 t -72.96 -46.14 54.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.488 1.117 . . . . 0.0 110.014 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.636 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -73.13 -51.1 19.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.626 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -57.8 -31.05 66.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 56.8 ttt-85 -96.2 26.8 4.02 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.342 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.718 ' CD2' HD13 ' B' ' 97' ' ' ILE . 2.6 t80 -47.81 -60.41 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.48 ' O ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER 55.35 65.91 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER 35.85 -158.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 111.095 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tm0? 87.35 -79.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.2 OUTLIER -36.28 -70.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.563 HG13 ' CZ ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -79.28 -43.58 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.384 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.421 ' O ' ' CE2' ' A' ' 54' ' ' TYR . 1.3 t 76.38 -53.85 0.6 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.957 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -48.59 173.78 0.04 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.486 1.116 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.4 Cg_endo -75.06 -90.37 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -54.51 -23.48 16.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.348 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.56 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.2 mt-10 -53.28 -23.1 8.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.623 1.202 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.662 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.89 -58.33 9.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.1 mp -60.38 -29.13 68.75 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -53.21 -58.32 7.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.047 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.6 tp-100 -63.15 -52.87 60.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD22 ' CD2' ' A' ' 49' ' ' PHE . 29.9 mt -56.52 -64.87 0.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.164 . . . . 0.0 109.355 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.6 OUTLIER -35.98 -37.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.575 1.172 . . . . 0.0 110.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.67 -49.68 44.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.254 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.9 mm? -64.23 -57.44 9.46 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.832 ' HB3' HD13 ' B' ' 89' ' ' LEU . 24.8 m -45.69 -56.02 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 108.326 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.697 ' HG2' HD23 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -47.9 -41.83 25.49 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 110.287 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -80.85 -11.75 59.54 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.57 ' HB3' ' O ' ' A' ' 71' ' ' CYS . 2.7 t90 -74.01 -54.82 7.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 108.024 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.086 HD12 HD12 ' B' ' 86' ' ' LEU . 0.2 OUTLIER -100.94 -56.1 2.4 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.451 1.094 . . . . 0.0 109.241 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.495 ' O ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 56.8 125.35 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 132.84 15.9 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 79' ' ' LEU . 1.2 pt-20 -177.11 60.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD13 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mm? 72.42 8.57 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.129 . . . . 0.0 109.346 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -81.56 102.05 10.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.606 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.882 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.0 t -63.79 -166.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.39 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.572 ' O ' HD13 ' A' ' 86' ' ' LEU . 1.4 mmtt -73.22 -5.39 39.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.882 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -61.72 -59.41 5.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -59.3 -41.08 88.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.265 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.94 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.9 OUTLIER -56.85 -53.38 43.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.8 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -51.52 -48.73 62.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' A' ' 91' ' ' MET . 4.7 mt-10 -68.66 -13.74 62.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.535 1.147 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.777 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -66.41 -54.57 22.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.307 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.044 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -83.06 -41.61 18.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' B' ' 68' ' ' ARG . 42.0 t -53.55 -35.44 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.085 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.788 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.0 tpt -81.43 -68.89 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.472 ' CA ' HD22 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -40.52 -34.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.152 . . . . 0.0 110.324 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.791 ' HG3' ' CZ ' ' B' ' 49' ' ' PHE . 10.7 mm100 -78.06 -55.32 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' A' ' 118' ' ' VAL . 18.6 t80 -40.11 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 111.018 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.988 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.83 -45.28 9.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.657 HG23 ' HG3' ' B' ' 51' ' ' ARG . 2.6 t -50.7 -36.02 34.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.401 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.687 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 1.1 pp -71.77 -39.25 68.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.582 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 7.3 mt -83.84 157.63 63.31 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.98 -161.93 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.46 -3.08 41.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.346 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -51.0 -55.24 18.36 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.689 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -63.49 -34.75 69.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.3 mt-30 -64.8 -24.88 67.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.326 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.86 -41.63 18.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.551 ' CB ' HD22 ' A' ' 120' ' ' LEU . 1.7 tpm_? -63.66 -31.98 73.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.128 . . . . 0.0 110.271 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 103' ' ' GLN . 9.1 p -81.42 -42.74 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -51.67 -45.87 63.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.27 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 107' ' ' ARG . 6.5 t60 -39.46 -32.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.656 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' N ' ' C ' ' A' ' 107' ' ' ARG . 8.9 ttm180 73.85 98.17 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.575 ' HB3' HD13 ' A' ' 111' ' ' LEU . 50.3 t 179.37 -69.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.408 1.068 . . . . 0.0 108.352 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.665 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -104.85 163.49 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 112' ' ' MET . 4.1 tpt -173.56 70.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -128.38 131.85 48.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.985 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 84.0 p -44.73 -44.31 9.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.28 -33.0 72.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.314 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 113' ' ' SER . 7.3 mm-40 -68.62 -38.01 80.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.583 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.6 mp -65.64 -54.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.907 HG21 ' HA ' ' B' ' 61' ' ' GLN . 0.4 OUTLIER -60.19 -27.78 40.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.414 ' O ' ' HG2' ' A' ' 122' ' ' GLU . 0.7 OUTLIER -66.51 -46.3 76.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -63.01 -42.25 99.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.298 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.643 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 85.3 t -63.5 -42.7 97.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.454 1.096 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 119' ' ' THR . 1.5 pt-20 -71.47 -22.76 61.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.169 . . . . 0.0 110.341 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.771 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 12.0 m-20 -75.47 -44.0 46.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -68.7 -38.26 80.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 111.034 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.643 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -65.63 -48.41 72.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.579 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.4 ttt180 177.22 70.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.771 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -51.5 127.72 20.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.04 32.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.985 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -163.87 160.15 21.87 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.75 72.6 48.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.7 42.81 Favored 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.582 1.833 . . . . 0.0 111.011 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 23.7 t -113.49 67.87 0.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 0.78 . . . . 0.0 110.028 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -140.26 177.18 8.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 109.228 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 34.8 t30 179.4 96.53 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 176.14 69.44 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 108.294 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 115.45 4.29 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.583 1.833 . . . . 0.0 111.016 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -163.32 101.04 0.99 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 92.02 1.0 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -152.72 -44.12 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.704 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -72.1 -53.49 12.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.704 ' N ' HD13 ' B' ' 44' ' ' LEU . 28.7 p -53.88 -27.83 32.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 0.0 108.35 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -77.49 -47.83 18.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -65.85 -12.41 54.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.412 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.1 t -93.99 -44.39 8.08 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 110.035 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.791 ' CZ ' ' HG3' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -81.68 -5.72 58.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.945 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.595 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -68.86 64.36 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.278 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.657 ' HG3' HG23 ' A' ' 96' ' ' THR . 11.3 ttp180 91.66 72.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 0.0 110.299 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 1.253 ' CE1' HD22 ' B' ' 67' ' ' LEU . 79.4 m-85 -51.18 -42.37 60.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 111.026 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.637 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 100.58 38.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 108.303 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 1.5 t80 44.24 26.73 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -117.14 39.22 3.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -128.08 -67.06 0.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 110.341 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.633 HG11 ' O ' ' B' ' 62' ' ' GLU . 18.4 m -83.02 -50.12 16.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.542 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.5 t 88.56 -24.92 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 109.911 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -78.62 174.9 55.1 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.5 1.125 . . . . 0.0 111.044 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -90.51 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.449 1.763 . . . . 0.0 111.011 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.907 ' HA ' HG21 ' A' ' 118' ' ' VAL . 18.7 tt0 -55.21 -23.3 21.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.295 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.633 ' O ' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER -62.76 -10.71 13.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.311 -179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.687 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -65.82 -74.42 0.11 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.837 ' HB3' ' CD1' ' A' ' 94' ' ' PHE . 0.0 OUTLIER -63.97 -16.51 61.73 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.649 ' N ' HD13 ' B' ' 64' ' ' LEU . 7.5 t -62.96 -58.69 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.029 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.623 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.0 OUTLIER -56.97 -43.22 81.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.548 1.155 . . . . 0.0 110.306 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 1.253 HD22 ' CE1' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -69.83 -18.91 63.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.575 ' HA ' HG22 ' A' ' 90' ' ' VAL . 11.4 ttp180 -66.82 -47.35 72.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 110.335 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -71.82 -41.56 68.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 110.289 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.616 HD12 ' HZ ' ' B' ' 52' ' ' PHE . 43.5 mt -67.55 -33.45 75.06 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.784 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.0 m -66.9 -62.21 1.55 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 108.302 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.488 ' HG2' ' CD2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.24 -34.63 10.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.309 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -84.74 -18.1 36.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.423 1.077 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.886 ' CE3' HD22 ' A' ' 89' ' ' LEU . 4.2 t90 -66.9 -56.2 11.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.011 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.044 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -91.64 -53.76 4.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.275 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.47 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.5 tp-100 37.54 61.27 4.02 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.515 1.135 . . . . 0.0 110.305 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.5 ' HG2' ' CG ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.03 140.82 25.82 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.797 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.989 ' O ' HD22 ' B' ' 79' ' ' LEU . 16.6 pt-20 -117.35 1.88 12.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.292 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.989 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.1 OUTLIER -175.89 -41.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -47.85 109.95 0.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.609 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.816 HG23 ' H ' ' B' ' 83' ' ' GLU . 9.2 t -60.8 -159.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.404 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.914 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -70.81 -3.38 18.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.816 ' H ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -64.48 -54.45 32.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 110.342 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -60.53 -46.8 88.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.805 HG21 HG12 ' A' ' 85' ' ' ILE . 3.5 mt -60.19 -47.53 91.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 1.086 HD12 HD12 ' A' ' 75' ' ' LEU . 6.5 mp -51.98 -38.25 56.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 109.351 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' B' ' 91' ' ' MET . 4.3 mt-10 -77.5 -16.61 58.61 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.525 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.72 -59.86 2.8 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.598 1.186 . . . . 0.0 109.316 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.073 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -67.9 -35.55 78.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.771 HG23 ' O ' ' B' ' 86' ' ' LEU . 40.0 t -62.37 -44.48 99.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.817 ' O ' HD22 ' B' ' 95' ' ' LEU . 65.6 mmm -72.12 -69.65 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.489 ' CA ' HD22 ' B' ' 95' ' ' LEU . 24.4 tt0 -35.35 -45.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.625 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -75.22 -50.9 14.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 110.308 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.798 ' CE1' HG23 ' B' ' 118' ' ' VAL . 7.5 t80 -44.51 -24.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.988 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.907 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -89.02 -44.45 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.574 1.172 . . . . 0.0 109.311 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.6 t -57.14 -33.87 67.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.455 1.097 . . . . 0.0 110.359 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.718 HD13 ' CD2' ' A' ' 52' ' ' PHE . 1.3 pt -66.2 -28.07 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.253 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.81 ' CD1' HG21 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -94.87 173.85 4.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.509 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.3 Cg_endo -74.94 -160.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.511 1.795 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -84.35 -2.37 56.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.584 1.177 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -55.4 -54.4 44.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.272 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.81 HG21 ' CD1' ' B' ' 98' ' ' LEU . 0.2 OUTLIER -62.36 -32.07 53.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.498 ' H ' HD13 ' B' ' 102' ' ' ILE . 5.0 tt0 -71.07 -25.21 62.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.68 21.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -27.65 66.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.569 HG23 ' O ' ' B' ' 102' ' ' ILE . 24.4 t -78.42 -37.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.246 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -63.39 -51.66 64.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.41 ' O ' ' C ' ' B' ' 109' ' ' ARG . 39.5 m170 -70.08 109.56 4.65 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.642 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -37.71 100.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.566 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER 173.3 42.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.331 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.575 HD22 ' O ' ' B' ' 111' ' ' LEU . 0.0 OUTLIER -106.53 162.52 13.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.501 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -162.79 -74.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.035 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.43 ' O ' ' CD1' ' B' ' 117' ' ' ILE . 8.6 t -118.51 161.14 20.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.962 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.527 ' HA ' HD13 ' B' ' 117' ' ' ILE . 4.3 p -77.84 -19.26 55.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 110.058 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -59.08 -45.67 90.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.501 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 2.4 tp10 -65.99 -33.02 74.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.654 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.4 mp -60.08 -64.74 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 109.326 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.798 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -52.16 -36.82 21.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.339 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -40.93 96.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.371 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.71 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -63.22 -44.09 96.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.667 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.5 OUTLIER -64.77 -40.32 88.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -59.78 -45.39 92.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.523 1.14 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.662 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -61.96 -41.63 98.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.402 ' CD1' ' C ' ' B' ' 124' ' ' PHE . 1.4 t80 -63.31 -40.63 97.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.667 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.6 m170 -67.72 -40.16 84.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.625 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.501 ' CB ' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 157.89 68.67 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.662 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -156.27 157.78 36.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.589 1.181 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . 0.46 ' O ' ' N ' ' B' ' 130' ' ' LYS . 2.6 m -91.73 -47.49 7.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 110.003 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.61 97.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' B' ' 128' ' ' SER . 14.6 pttt -128.47 157.97 73.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.091 . . . . 0.0 109.299 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 111.077 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.1 tttm . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 109.295 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.91 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.94 162.64 1.01 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 110.032 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.03 76.68 1.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.328 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 27.6 p30 175.0 169.4 0.28 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 m -148.14 69.11 10.66 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 108.3 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 168.68 24.3 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.601 1.843 . . . . 0.0 111.041 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.457 ' HB2' HD12 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -165.23 64.56 1.03 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.252 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 18.1 Cg_endo -75.07 -53.44 0.1 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.57 1.826 . . . . 0.0 110.993 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -69.51 -25.72 64.18 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.598 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -75.39 -50.83 14.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 44' ' ' LEU . 6.6 m -67.6 -27.51 66.97 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 108.313 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 74' ' ' TRP . 7.4 mtt180 -66.48 -56.06 12.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.243 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -72.63 -22.14 61.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 35.9 t -65.67 -57.05 9.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -72.8 -48.82 34.82 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 111.008 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.61 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 5.5 tmm_? -47.65 -46.73 29.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 110.344 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.6 ttp-105 -93.48 25.62 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 110.276 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.407 ' CB ' HD21 ' A' ' 67' ' ' LEU . 4.2 t80 -45.18 -39.08 5.85 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.53 ' O ' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER 62.5 109.24 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.439 1.087 . . . . 0.0 108.276 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' CA ' HD12 ' B' ' 97' ' ' ILE . 29.5 t80 -35.44 91.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 111.018 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' A' ' 53' ' ' CYS . 7.5 tt0 -93.6 22.74 5.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.162 . . . . 0.0 110.288 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 56.01 79.73 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 110.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.508 ' CG2' ' HB3' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -77.6 51.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 m 45.23 24.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.406 ' N ' ' C ' ' A' ' 57' ' ' VAL . . . -174.36 155.48 21.4 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.558 1.161 . . . . 0.0 110.998 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -72.78 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.41 1.742 . . . . 0.0 111.026 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.429 ' HB3' HG11 ' B' ' 118' ' ' VAL . 12.4 pt20 -57.46 -18.02 16.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' HB3' ' CG2' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -54.77 -17.41 3.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.8 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -61.49 -58.81 6.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.755 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 3.9 mp -66.56 -23.72 66.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 30.8 m -59.6 -57.11 14.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 109.985 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -63.73 -47.72 79.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.23 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.643 HD11 HG21 ' B' ' 97' ' ' ILE . 86.0 mt -61.31 -56.75 16.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.57 ' HA ' ' CG2' ' B' ' 90' ' ' VAL . 8.8 ttm180 -42.38 -35.46 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 0.0 110.218 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -71.26 -49.31 44.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.442 1.089 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 70' ' ' LEU . 0.7 OUTLIER -66.3 -31.1 71.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.166 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.781 ' SG ' HD13 ' B' ' 89' ' ' LEU . 3.5 m -67.16 -61.97 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 108.323 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.71 -38.85 10.5 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.54 1.15 . . . . 0.0 110.195 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 -83.75 -16.19 45.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.316 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.805 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.6 t90 -66.06 -53.81 33.73 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.007 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -96.94 -56.64 2.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.608 ' O ' ' O ' ' A' ' 75' ' ' LEU . 7.3 tt0 51.61 124.62 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.546 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.09 146.49 32.41 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.456 1.766 . . . . 0.0 110.969 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 5.0 mt-10 157.05 78.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.0 mm? 70.93 37.67 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.674 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER -146.17 147.85 31.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.55 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -122.68 173.47 7.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.617 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -42.6 -28.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.444 1.09 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' HG3' HG23 ' A' ' 81' ' ' THR . 2.4 mt-10 -42.57 -54.94 3.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 0.0 110.321 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.689 ' O ' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -64.5 -34.1 77.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.882 HG21 HG12 ' B' ' 85' ' ' ILE . 3.3 mt -65.31 -59.26 4.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.967 HD22 HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -51.28 -32.36 24.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -84.71 -13.35 51.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.183 . . . . 0.0 110.241 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -72.84 -56.0 5.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.376 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.051 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -64.82 -36.1 83.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.269 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.863 HG23 ' O ' ' A' ' 86' ' ' LEU . 54.5 t -58.79 -45.36 91.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.107 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.598 ' HA ' ' HE3' ' A' ' 91' ' ' MET . 1.8 tpt -62.54 -69.28 0.27 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 0.0 110.99 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -43.31 -28.41 0.32 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.951 ' O ' HG22 ' A' ' 96' ' ' THR . 9.0 tp-100 -74.39 -63.54 1.21 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.09 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.157 ' CE2' HD11 ' A' ' 98' ' ' LEU . 50.4 t80 -44.72 -35.57 2.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.523 1.14 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.756 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -72.75 -44.1 62.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.951 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.6 t -55.05 -27.67 46.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.436 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 54' ' ' TYR . 46.1 pt -89.59 -44.79 15.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.157 HD11 ' CE2' ' A' ' 94' ' ' PHE . 16.7 mt -50.98 160.94 0.74 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -75.01 -161.33 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.484 1.781 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -83.51 -24.51 31.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.309 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.54 ' HG3' ' CE1' ' A' ' 124' ' ' PHE . 0.1 OUTLIER -46.62 -45.18 18.88 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.859 HG21 HD13 ' A' ' 98' ' ' LEU . 2.0 pp -68.52 -38.32 79.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.523 1.14 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.661 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.3 mt-30 -59.3 -31.09 68.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -77.31 -50.14 13.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.95 -26.12 68.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.281 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.578 ' HA ' HD21 ' A' ' 111' ' ' LEU . 5.2 t -75.98 -50.61 22.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -53.4 -38.46 63.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 110.301 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 109' ' ' ARG . 38.3 t60 -81.57 92.21 6.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 109.722 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER -34.92 107.47 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 110.353 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 2.8 t -178.58 37.39 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.578 HD21 ' HA ' ' A' ' 106' ' ' VAL . 2.7 mt -109.8 158.11 18.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -152.79 -42.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 111.006 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.459 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.4 OUTLIER -132.61 -178.58 5.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 1.072 . . . . 0.0 109.992 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.2 p -92.44 -36.12 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.104 . . . . 0.0 110.014 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -57.34 -28.28 62.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -64.28 -45.01 89.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 113' ' ' SER . 3.3 mp -62.32 -48.69 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.369 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.874 HG13 ' HB2' ' B' ' 60' ' ' PRO . 2.0 t -60.25 -43.65 93.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.8 -42.45 84.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 110.393 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.673 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -58.47 -53.72 55.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 109.281 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.961 HG21 HD13 ' A' ' 98' ' ' LEU . 71.3 t -57.65 -40.6 76.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.442 1.089 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.412 ' OE2' ' O ' ' A' ' 122' ' ' GLU . 0.0 OUTLIER -62.8 -34.83 78.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.289 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -46.62 83.32 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.412 1.07 . . . . 0.0 109.322 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.54 ' CE1' ' HG3' ' A' ' 101' ' ' GLU . 1.1 t80 -59.22 -44.02 92.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.555 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.7 m170 -57.4 -50.17 73.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.451 1.095 . . . . 0.0 109.613 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.438 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 9.0 mtt180 162.43 41.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.293 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 37.2 -154.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 39.2 0.89 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.514 1.134 . . . . 0.0 110.011 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.8 152.74 38.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.569 1.168 . . . . 0.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.5 104.42 55.22 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.362 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 106.71 2.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 11.2 tptt . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 62.94 165.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.042 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -161.82 90.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 64.75 142.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.342 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.91 99.98 0.74 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 108.33 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 107.16 2.42 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.473 1.775 . . . . 0.0 111.047 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -154.94 116.66 2.42 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -61.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.52 1.8 . . . . 0.0 111.026 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.36 38.64 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.267 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.539 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.5 tm? -80.07 -54.87 5.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.553 1.158 . . . . 0.0 109.361 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.443 ' N ' HD13 ' B' ' 44' ' ' LEU . 5.9 p -51.13 -25.49 5.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.086 . . . . 0.0 108.254 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.632 ' CD ' ' CD1' ' B' ' 74' ' ' TRP . 4.8 mmp_? -81.05 -54.96 5.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.556 1.16 . . . . 0.0 110.306 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.59 -11.67 12.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.108 . . . . 0.0 110.32 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 10.4 t -93.15 -53.75 3.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.972 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.622 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -56.34 -26.12 51.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 111.084 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.493 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.5 OUTLIER -47.06 -20.39 0.16 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.448 ' N ' ' C ' ' B' ' 49' ' ' PHE . 5.6 ttt-85 -136.8 45.35 2.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.908 ' CZ ' HG13 ' B' ' 57' ' ' VAL . 0.2 OUTLIER -38.76 -38.06 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 4.2 t 87.8 113.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 108.343 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.548 ' HA ' HD12 ' A' ' 97' ' ' ILE . 4.9 t80 -49.07 -65.63 0.54 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -58.04 86.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.576 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 1.5 tt0 -167.16 -53.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 0.0 110.267 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.908 HG13 ' CZ ' ' B' ' 52' ' ' PHE . 32.2 m -81.91 171.61 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -42.21 -33.49 0.62 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 109.909 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.535 ' O ' HG23 ' B' ' 57' ' ' VAL . . . 166.02 -131.06 2.28 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.579 1.174 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.874 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -74.92 -59.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.582 ' O ' HD22 ' B' ' 64' ' ' LEU . 20.2 pt20 -48.14 -45.89 33.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.487 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 8.6 tp10 -74.31 -9.89 59.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.721 ' HB3' ' O ' ' B' ' 60' ' ' PRO . . . -66.29 -65.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.77 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -67.12 -22.94 65.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.223 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.404 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 6.6 t -61.16 -56.25 22.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.973 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.414 ' HB2' HG11 ' B' ' 57' ' ' VAL . 1.7 tp60 -65.17 -45.31 85.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.143 . . . . 0.0 110.324 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.883 HD22 ' HG2' ' A' ' 93' ' ' GLN . 66.9 mt -66.54 -27.12 67.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.0 OUTLIER -66.51 -42.09 87.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.302 179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -69.55 -42.59 74.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 110.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.44 -36.66 76.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.803 ' HB3' HD13 ' A' ' 89' ' ' LEU . 14.2 m -69.67 -63.81 1.0 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 108.288 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.672 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -46.6 -32.17 3.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.274 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.536 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 41.4 tt0 -86.25 -22.69 26.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.92 ' CE3' HD22 ' A' ' 89' ' ' LEU . 2.8 t90 -61.94 -55.27 31.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 108.004 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.051 HD11 HD21 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -92.5 -55.5 3.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.581 1.175 . . . . 0.0 109.332 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.5 OUTLIER 30.78 60.52 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.482 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.92 146.27 32.79 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.483 1.781 . . . . 0.0 110.992 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -5.63 16.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.27 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.516 HD12 ' N ' ' B' ' 80' ' ' HIS . 4.5 pp -176.37 -38.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.442 1.089 . . . . 0.0 109.345 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.516 ' N ' HD12 ' B' ' 79' ' ' LEU . 0.3 OUTLIER -37.95 104.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.583 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.654 HG23 ' H ' ' B' ' 83' ' ' GLU . 14.1 t -59.9 -156.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 110.425 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.675 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.25 -5.82 5.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.245 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.654 ' H ' HG23 ' B' ' 81' ' ' THR . 2.7 mt-10 -60.65 -62.77 1.62 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 110.343 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.455 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 1.3 tt0 -66.69 -43.37 84.59 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.361 1.038 . . . . 0.0 110.306 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.882 HG12 HG21 ' A' ' 85' ' ' ILE . 0.6 OUTLIER -53.56 -46.23 60.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.765 ' O ' HD12 ' B' ' 89' ' ' LEU . 2.0 mp -57.9 -53.79 54.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.483 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.9 OUTLIER -65.77 -10.85 41.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.405 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.89 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -72.95 -66.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.007 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.2 OUTLIER -68.46 -26.87 65.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.606 HG23 ' O ' ' B' ' 86' ' ' LEU . 24.4 t -67.81 -39.06 81.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.499 ' HG3' HD21 ' B' ' 95' ' ' LEU . 1.5 tpt -69.89 -71.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.012 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.461 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.0 OUTLIER -42.37 -37.5 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.105 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.86 ' O ' HG22 ' B' ' 96' ' ' THR . 1.0 OUTLIER -72.23 -57.17 4.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.256 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.893 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 17.0 t80 -44.19 -33.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 1.095 . . . . 0.0 111.027 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.712 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -73.53 -47.72 38.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.86 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.52 -29.99 52.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.8 HD11 ' HB1' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -82.83 -36.44 13.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.899 HD13 HG21 ' B' ' 121' ' ' VAL . 3.5 mt -64.89 162.17 39.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.085 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.423 ' O ' HG13 ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -159.87 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.526 1.803 . . . . 0.0 110.998 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.54 -25.91 32.94 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.327 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.438 ' HG3' ' CD2' ' B' ' 124' ' ' PHE . 8.1 mm-40 -43.75 -41.81 5.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.072 . . . . 0.0 110.252 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.726 HG21 ' CD1' ' B' ' 98' ' ' LEU . 2.4 pp -69.96 -42.08 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.497 ' N ' HD12 ' B' ' 102' ' ' ILE . 10.9 mt-30 -58.06 -25.99 61.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.522 1.139 . . . . 0.0 110.351 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.89 -47.0 13.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.248 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.634 ' O ' HD21 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.99 -17.82 63.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 110.29 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.683 HG22 HD11 ' B' ' 111' ' ' LEU . 33.9 t -86.52 -54.07 9.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.423 1.077 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -56.03 -37.1 68.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.406 1.066 . . . . 0.0 110.319 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 40.4 m170 -116.51 179.05 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.614 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.426 ' NH1' HH21 ' B' ' 105' ' ' ARG . 3.4 mpt_? 59.2 -175.59 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 10.8 t -126.89 106.93 9.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 0.0 108.362 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.683 HD11 HG22 ' B' ' 106' ' ' VAL . 13.6 mt -71.78 156.42 39.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.46 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -119.65 -69.37 0.85 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 50.4 m -128.96 152.36 48.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.537 ' HA ' HD13 ' B' ' 117' ' ' ILE . 78.0 p -55.43 -26.78 43.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.592 1.182 . . . . 0.0 110.048 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.1 mtpt -59.54 -38.09 80.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.46 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 67.9 mm-40 -66.31 -41.23 90.03 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.537 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.5 mp -59.17 -53.52 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.759 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 2.2 t -53.65 -46.31 61.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.416 1.072 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -58.92 -43.19 91.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.571 HD21 HG22 ' B' ' 102' ' ' ILE . 0.1 OUTLIER -52.72 -48.3 66.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.899 HG21 HD13 ' B' ' 98' ' ' LEU . 89.8 t -60.13 -45.06 96.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.3 -36.92 76.47 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.594 1.184 . . . . 0.0 110.267 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.0 OUTLIER -65.15 -41.67 94.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.27 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.438 ' CD2' ' HG3' ' B' ' 101' ' ' GLU . 19.0 t80 -63.0 -36.78 84.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.649 ' NE2' HG12 ' B' ' 121' ' ' VAL . 14.0 m170 -66.05 -50.4 64.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.615 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 173.68 69.84 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.337 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.835 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -164.54 144.86 7.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.563 1.165 . . . . 0.0 109.265 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 72.5 m -97.71 83.53 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.507 1.13 . . . . 0.0 110.039 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -155.45 118.66 4.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.82 157.54 69.51 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.081 . . . . 0.0 109.297 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.38 37.28 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.783 . . . . 0.0 111.006 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 tttm . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.1 t 178.16 122.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 0.779 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -36.18 6.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 43.94 89.89 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.561 1.163 . . . . 0.0 109.289 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m 44.83 78.28 0.4 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 108.304 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 152.88 41.66 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.51 1.795 . . . . 0.0 111.032 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.27 123.72 84.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 61.34 5.68 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.487 1.782 . . . . 0.0 111.02 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -178.4 42.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.576 1.173 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER -74.94 -56.58 4.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.349 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.545 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -59.16 -30.43 68.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.165 . . . . 0.0 108.345 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.3 mmp_? -64.89 -60.33 3.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.265 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' N ' ' A' ' 48' ' ' SER . 1.3 pt20 -59.16 -24.28 62.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.256 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.436 ' N ' ' HG3' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -66.2 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.992 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.524 ' O ' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -70.31 -18.81 63.1 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.483 ' HD3' ' OE1' ' B' ' 93' ' ' GLN . 0.8 OUTLIER -77.13 -25.29 51.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.317 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.97 35.24 4.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.859 ' CE2' HD13 ' B' ' 97' ' ' ILE . 3.3 t80 -58.27 -45.69 87.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.511 ' O ' ' C ' ' A' ' 54' ' ' TYR . 4.7 t 33.01 80.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.333 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 28.12 42.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.555 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 15.3 tt0 -119.51 73.86 0.97 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.7 OUTLIER 171.15 -71.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.728 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.9 m -84.82 143.78 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.361 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.0 m -98.32 7.92 45.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.413 1.071 . . . . 0.0 110.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -113.24 171.28 13.77 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.501 1.126 . . . . 0.0 110.947 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -81.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.853 ' O ' HD12 ' A' ' 64' ' ' LEU . 31.4 tt0 -50.51 -23.03 2.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.326 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.728 ' C ' HG21 ' A' ' 57' ' ' VAL . 5.1 mm-40 -62.36 -11.52 15.93 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.089 . . . . 0.0 110.214 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.52 -64.85 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.23 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.853 HD12 ' O ' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -71.0 -17.78 62.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 62' ' ' GLU . 5.6 t -61.68 -55.0 35.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.016 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.9 -42.76 80.64 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.964 HD13 ' HG3' ' B' ' 93' ' ' GLN . 20.8 mt -67.3 -31.1 71.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.127 . . . . 0.0 109.388 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.717 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.9 ttm180 -60.84 -47.33 86.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.253 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -35.87 78.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.277 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -63.58 -59.8 4.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.729 ' HB2' HD13 ' B' ' 89' ' ' LEU . 9.4 p -59.47 -45.6 91.18 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.12 . . . . 0.0 108.333 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' N ' ' SG ' ' A' ' 71' ' ' CYS . 33.3 mtp85 -45.23 -41.71 8.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.476 ' HA ' ' CB ' ' A' ' 76' ' ' GLN . 95.9 mt-30 -84.71 -16.0 43.23 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.548 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -68.31 -57.68 5.57 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.901 ' CD1' HD21 ' B' ' 89' ' ' LEU . 40.0 mt -97.33 -9.4 27.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.095 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.607 ' C ' ' O ' ' A' ' 75' ' ' LEU . 1.2 tt0 -19.55 123.64 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.525 ' O ' ' CB ' ' A' ' 78' ' ' GLU . 18.2 Cg_endo -75.01 -164.79 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.546 1.814 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.525 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 0.8 OUTLIER 88.48 -11.56 0.45 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 80' ' ' HIS . 4.5 pp -134.15 2.12 3.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.542 ' CG ' ' HB2' ' A' ' 84' ' ' GLN . 0.9 OUTLIER 178.75 171.01 0.83 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.4 t -123.59 -157.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.459 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.716 ' O ' HD22 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -55.87 -12.5 1.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 2.4 tp10 -63.68 -57.3 10.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.542 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 5.6 mm-40 -63.28 -47.4 82.52 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.369 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' B' ' 85' ' ' ILE . 3.2 mt -56.36 -50.83 70.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.819 ' HA ' HD11 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -52.6 -44.63 66.11 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 91' ' ' MET . 0.0 OUTLIER -69.98 -17.61 63.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.638 ' HG ' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.75 -63.06 1.13 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.068 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.1 OUTLIER -65.7 -38.99 90.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' LEU . 57.3 t -60.01 -38.58 77.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.43 1.081 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.655 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -66.5 -69.8 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 110.922 -179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -39.04 -34.3 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.643 ' O ' HG22 ' A' ' 96' ' ' THR . 1.6 tp-100 -77.44 -59.71 2.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.836 ' CE1' HG23 ' A' ' 118' ' ' VAL . 40.7 t80 -48.37 -20.63 0.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.738 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -89.31 -40.11 13.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.0 t -66.74 -32.91 74.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.167 . . . . 0.0 110.452 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.767 HD12 ' HD1' ' B' ' 54' ' ' TYR . 25.1 pt -67.75 -43.65 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 20.2 mt -82.48 137.59 44.93 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.717 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.9 136.53 20.74 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' A' ' 103' ' ' GLN . 27.9 mt-10 -35.08 -28.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 110.309 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.578 ' N ' ' O ' ' A' ' 99' ' ' PRO . 2.9 mt-10 -41.01 -33.82 0.35 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.339 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.907 ' HB ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -78.55 -44.56 26.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 O-C-N 124.493 1.12 . . . . 0.0 109.26 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.624 ' H ' HD13 ' A' ' 102' ' ' ILE . 7.3 mt-30 -54.81 -26.04 32.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 110.321 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' O ' ' HA ' ' A' ' 108' ' ' HIS . . . -90.45 -44.42 9.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -10.85 30.71 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 110.253 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.665 HG13 ' N ' ' A' ' 107' ' ' ARG . 11.8 p -104.64 -61.73 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.665 ' N ' HG13 ' A' ' 106' ' ' VAL . 23.1 ttt85 -100.52 -32.59 10.71 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.272 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.55 ' CB ' ' O ' ' A' ' 107' ' ' ARG . 1.7 t-80 91.01 3.0 0.12 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.586 1.179 . . . . 0.0 109.615 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -133.7 -62.17 0.78 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 107' ' ' ARG . 29.7 p -151.42 -166.12 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.1 . . . . 0.0 108.319 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.1 OUTLIER -47.12 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.444 ' CE ' ' HB2' ' A' ' 113' ' ' SER . 5.7 ttp -150.6 -78.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.714 ' O ' HD13 ' A' ' 117' ' ' ILE . 0.5 OUTLIER -133.34 128.86 36.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.148 . . . . 0.0 109.999 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.508 ' HB3' ' CE ' ' A' ' 91' ' ' MET . 3.0 p -52.42 -43.69 64.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.067 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 119' ' ' THR . 0.3 OUTLIER -66.87 -39.43 87.52 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 109.314 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.568 ' HB3' HG23 ' A' ' 106' ' ' VAL . 3.1 mm-40 -69.4 -35.14 75.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 110.303 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.714 HD13 ' O ' ' A' ' 113' ' ' SER . 1.7 mp -62.76 -69.42 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.312 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.836 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.08 -25.87 13.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 115' ' ' LYS . 0.9 OUTLIER -61.13 -56.75 17.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 110.43 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.907 HD21 ' HB ' ' A' ' 102' ' ' ILE . 0.6 OUTLIER -59.42 -39.51 83.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.613 1.195 . . . . 0.0 109.366 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.613 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 49.5 t -59.76 -34.92 57.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' C ' ' A' ' 126' ' ' ARG . 24.5 tt0 -77.33 -26.28 51.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.594 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 4.5 t0 -70.6 -48.46 55.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.07 -39.99 60.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.022 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 11.7 m170 -68.22 -29.41 68.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 109.588 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.461 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 2.3 mtt180 161.68 75.88 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.481 1.113 . . . . 0.0 110.278 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -53.82 -71.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.282 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 7.2 t 47.32 47.95 16.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.992 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.58 172.94 2.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.46 152.5 17.0 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.281 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.37 2.7 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.567 1.825 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 tptp . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -166.78 -83.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.767 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.94 -173.18 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.4 1.063 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -161.61 149.13 14.74 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.53 75.22 74.4 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 108.352 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.91 6.61 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.497 1.788 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.75 152.87 77.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.89 4.07 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.403 1.739 . . . . 0.0 111.0 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 171.49 39.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 110.297 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.641 HD13 ' C ' ' B' ' 44' ' ' LEU . 0.8 OUTLIER -86.49 -49.26 7.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.492 ' N ' HD13 ' B' ' 44' ' ' LEU . 32.0 p -59.56 -31.64 69.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 108.318 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.53 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.2 OUTLIER -77.96 -53.22 7.69 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.595 1.184 . . . . 0.0 110.26 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -64.96 -11.25 36.37 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -91.45 -67.06 0.88 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.97 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.615 ' CE2' ' SG ' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -53.6 -32.82 52.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.591 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 6.6 tpt180 -37.94 95.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.1 OUTLIER 87.51 68.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.28 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.578 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 21.1 t80 -44.37 -55.53 4.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.578 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 2.2 t 93.9 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.325 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.767 ' HD1' HD12 ' A' ' 97' ' ' ILE . 17.6 t80 30.78 64.82 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.992 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.594 ' O ' ' CB ' ' B' ' 56' ' ' GLU . 13.8 tt0 -42.58 -23.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.594 ' CB ' ' O ' ' B' ' 55' ' ' GLN . 6.4 tt0 95.14 61.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' O ' ' CB ' ' B' ' 58' ' ' SER . 19.3 m -54.87 -17.65 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.55 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.8 t 89.51 -33.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.926 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -90.98 167.68 32.03 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.451 1.095 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' GLU . 18.3 Cg_endo -74.98 -81.06 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.436 ' HA ' HG21 ' A' ' 118' ' ' VAL . 0.2 OUTLIER -61.68 -13.54 23.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 110.299 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.525 ' CB ' HG21 ' B' ' 57' ' ' VAL . 41.7 mm-40 -53.43 -21.27 5.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.568 1.167 . . . . 0.0 110.343 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -61.86 -54.85 36.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.582 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -67.05 -26.46 66.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.343 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.435 ' HB2' ' O ' ' B' ' 62' ' ' GLU . 5.7 m -59.33 -53.96 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 110.015 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp60 -63.67 -50.6 68.6 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 52' ' ' PHE . 11.1 mt -60.76 -58.07 10.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.538 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 30.3 ttm180 -40.52 -39.84 1.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.17 -44.97 71.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 110.34 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.9 mm? -62.72 -55.91 22.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 1.068 ' HB3' HD13 ' A' ' 89' ' ' LEU . 26.5 m -55.39 -54.72 40.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.359 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.42 ' O ' ' HB2' ' B' ' 76' ' ' GLN . 43.2 mtp180 -44.63 -37.9 3.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -84.86 -17.66 37.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.652 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.2 t90 -66.68 -56.21 11.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 108.008 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.972 HD11 HD21 ' A' ' 89' ' ' LEU . 15.2 mt -89.25 -53.01 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.559 ' O ' ' O ' ' B' ' 75' ' ' LEU . 8.0 tm0? 34.29 98.88 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.276 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.603 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -74.98 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.603 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 9.7 tt0 94.57 -16.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.487 1.117 . . . . 0.0 110.26 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 78' ' ' GLU . 0.5 OUTLIER -135.64 8.57 3.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' B' ' 84' ' ' GLN . 0.6 OUTLIER -175.91 141.58 0.48 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.549 1.156 . . . . 0.0 109.582 179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.648 HG23 ' H ' ' B' ' 83' ' ' GLU . 11.0 t -86.79 -157.14 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.376 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.612 ' O ' HD22 ' B' ' 86' ' ' LEU . 0.1 OUTLIER -63.82 -4.82 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.322 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.648 ' H ' HG23 ' B' ' 81' ' ' THR . 0.8 OUTLIER -63.02 -48.54 78.32 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.525 1.141 . . . . 0.0 110.289 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.577 ' HB3' ' CD2' ' B' ' 80' ' ' HIS . 2.8 tp60 -66.25 -45.77 79.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 1.049 HG21 HG21 ' A' ' 85' ' ' ILE . 5.1 mt -63.76 -55.95 19.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.954 ' O ' HD12 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -46.56 -45.45 18.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.285 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -67.38 -26.6 66.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -54.06 -51.33 64.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 109.286 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.954 HD12 ' O ' ' B' ' 86' ' ' LEU . 0.0 OUTLIER -66.89 -44.16 81.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.717 HG22 ' HA ' ' A' ' 68' ' ' ARG . 99.4 t -54.85 -37.87 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.931 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.54 -73.01 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.435 1.084 . . . . 0.0 111.006 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.408 ' O ' ' HB ' ' B' ' 96' ' ' THR . 5.3 tt0 -44.35 -31.47 1.05 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.964 ' HG3' HD13 ' A' ' 67' ' ' LEU . 34.1 tp60 -80.65 -64.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.964 ' CE1' HG23 ' B' ' 118' ' ' VAL . 34.8 t80 -43.46 -24.71 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.954 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -86.3 -46.69 10.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.443 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.6 t -63.19 -14.96 55.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.911 HG23 ' O ' ' B' ' 93' ' ' GLN . 0.7 OUTLIER -87.25 -29.19 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.704 HD12 ' CG2' ' B' ' 102' ' ' ILE . 71.7 mt -85.44 151.97 57.0 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.403 ' O ' ' OE1' ' B' ' 103' ' ' GLN . 18.2 Cg_endo -74.96 -104.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.45 1.763 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.479 ' O ' ' N ' ' B' ' 103' ' ' GLN . 6.0 mt-10 -99.75 -18.16 17.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.42 1.075 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.651 ' OE1' HG13 ' B' ' 121' ' ' VAL . 1.8 mt-10 -37.01 -52.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.326 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.704 ' CG2' HD12 ' B' ' 98' ' ' LEU . 0.2 OUTLIER -68.64 -40.44 81.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' B' ' 100' ' ' GLU . 16.6 mt-30 -58.11 -26.24 62.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 1.077 . . . . 0.0 110.287 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.91 -42.48 19.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.589 1.181 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.6 ' HG3' HG13 ' B' ' 106' ' ' VAL . 0.0 OUTLIER -62.29 -25.0 67.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.6 HG13 ' HG3' ' B' ' 105' ' ' ARG . 24.2 m -93.21 -33.67 5.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.162 . . . . 0.0 109.335 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -52.37 64.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 110.286 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -125.63 159.93 30.92 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.591 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.888 HH12 ' NZ ' ' B' ' 132' ' ' LYS . 0.0 OUTLIER 60.59 152.41 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.329 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -107.55 -59.96 1.76 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 108.319 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.57 ' N ' HD23 ' B' ' 111' ' ' LEU . 4.0 mt -48.55 128.41 14.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.238 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.543 ' HE3' ' HG2' ' B' ' 116' ' ' GLU . 1.4 tpt 178.08 78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.564 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -66.15 157.84 30.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.979 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.408 ' C ' ' O ' ' B' ' 113' ' ' SER . 3.3 p -38.6 -63.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.955 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.64 -31.34 25.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.564 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.1 OUTLIER -66.78 -50.89 61.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.438 1.087 . . . . 0.0 110.289 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.783 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.5 mp -53.83 -62.39 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.964 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -48.84 -35.1 6.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.37 -40.89 98.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 110.427 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.783 HD23 ' HA ' ' B' ' 117' ' ' ILE . 0.3 OUTLIER -60.0 -40.13 88.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.667 HG12 ' NE2' ' B' ' 125' ' ' HIS . 21.4 t -64.77 -43.22 96.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.568 1.167 . . . . 0.0 109.228 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.8 -33.55 76.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.275 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.509 ' CA ' ' HB2' ' B' ' 127' ' ' ALA . 25.1 m-20 -70.0 -36.39 75.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -70.77 -35.62 72.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.991 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.667 ' NE2' HG12 ' B' ' 121' ' ' VAL . 17.1 m170 -69.52 -42.51 74.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 33.7 ttm-85 176.51 70.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.509 ' HB2' ' CA ' ' B' ' 123' ' ' ASP . . . -52.69 175.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.079 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 7.9 t -114.74 -53.21 2.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 110.035 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -143.78 -63.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 67.33 93.76 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.557 1.16 . . . . 0.0 109.35 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 146.65 33.27 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.516 1.798 . . . . 0.0 111.027 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.888 ' NZ ' HH12 ' B' ' 109' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.944 -0.863 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -139.5 76.42 1.56 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 0.776 . . . . 0.0 110.005 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.64 126.51 31.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.257 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.8 p-10 -174.69 111.68 0.14 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -150.93 68.54 8.18 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.537 1.148 . . . . 0.0 108.312 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 160.41 40.3 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.443 1.76 . . . . 0.0 111.04 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -150.23 84.13 5.83 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.245 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.02 55.63 4.02 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.009 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.446 ' CD ' ' N ' ' A' ' 43' ' ' GLU . 5.2 mp0 65.84 27.43 11.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.282 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -70.76 -47.97 56.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.6 p -73.09 -25.23 60.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 108.305 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 0.2 OUTLIER -64.94 -56.24 14.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 110.336 179.933 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.44 -37.98 65.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.363 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 29.0 t -54.74 -69.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.84 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -58.52 -39.71 80.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.982 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.819 ' HG3' HG21 ' B' ' 96' ' ' THR . 1.4 ttp180 -46.82 -37.59 8.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.79 49.34 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.279 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.658 ' O ' ' CG ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -146.71 9.42 1.03 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.943 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.83 ' HB3' HG21 ' B' ' 97' ' ' ILE . 43.6 t -69.85 -59.26 3.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 108.274 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.729 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.1 OUTLIER -73.79 -0.14 14.87 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.458 1.099 . . . . 0.0 111.001 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -97.37 -4.92 37.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.578 1.174 . . . . 0.0 110.306 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.24 -58.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.584 HG21 ' HA ' ' A' ' 63' ' ' ALA . 22.9 m -90.8 131.81 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 9.0 p -103.9 43.28 1.1 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.51 1.131 . . . . 0.0 110.05 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -144.76 176.03 24.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.422 1.076 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.637 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.8 Cg_endo -74.9 -90.45 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.493 1.786 . . . . 0.0 111.053 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.641 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -45.95 -29.41 1.41 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' C ' HG21 ' A' ' 57' ' ' VAL . 8.9 tt0 -57.34 -27.88 62.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 110.372 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.584 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -60.22 -67.12 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.257 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.065 HD21 HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -52.78 -25.21 10.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.288 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -56.71 -62.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.018 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -60.78 -54.93 39.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.84 HD23 ' CD2' ' A' ' 49' ' ' PHE . 23.7 mt -53.07 -62.9 1.35 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.617 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 34.7 ttt180 -37.32 -36.95 0.16 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.176 . . . . 0.0 110.295 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -67.51 -50.99 56.29 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 ' HB3' ' CD2' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -65.03 -56.14 14.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.09 . . . . 0.0 109.251 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.826 ' HB3' HD13 ' B' ' 89' ' ' LEU . 16.0 m -47.35 -57.47 5.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.241 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -50.33 -34.32 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -82.98 -16.12 48.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.317 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.6 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.7 t90 -70.56 -55.03 9.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 107.979 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.944 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -92.42 -54.3 3.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 75' ' ' LEU . 2.4 tt0 36.4 63.31 2.74 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.145 . . . . 0.0 110.343 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -75.06 118.26 5.19 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.451 1.764 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 2.8 pt-20 -100.82 5.19 43.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.327 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 1.021 HD13 ' N ' ' A' ' 80' ' ' HIS . 0.0 OUTLIER 175.96 -33.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 1.021 ' N ' HD13 ' A' ' 79' ' ' LEU . 2.8 m170 -62.18 112.28 2.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 109.592 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.731 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.2 t -61.5 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.343 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.709 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.5 OUTLIER -65.23 -6.05 8.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.731 ' H ' HG23 ' A' ' 81' ' ' THR . 35.5 mt-10 -61.97 -51.1 69.43 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.141 . . . . 0.0 110.234 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.537 ' HG3' HD22 ' A' ' 88' ' ' LEU . 6.0 tp60 -70.26 -45.09 67.14 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' B' ' 85' ' ' ILE . 7.6 mt -54.72 -55.5 15.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.709 HD13 ' O ' ' A' ' 82' ' ' LYS . 10.1 mp -52.25 -53.53 42.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.47 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.7 tp10 -66.42 -11.49 52.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.095 . . . . 0.0 110.287 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.43 -62.46 1.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.361 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.018 HD21 ' CD1' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -65.57 -30.16 70.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 0.0 109.327 179.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.606 ' CG2' ' CB ' ' B' ' 71' ' ' CYS . 40.0 t -65.74 -40.27 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.695 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -68.29 -69.96 0.29 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.464 ' C ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -38.67 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.609 ' OE1' HD21 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -82.92 -37.84 23.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.799 ' CE1' HG23 ' A' ' 118' ' ' VAL . 11.5 t80 -51.33 -29.21 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.006 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -92.59 -49.22 6.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.536 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.1 t -43.45 -32.37 0.86 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.431 1.082 . . . . 0.0 110.443 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.669 HG22 ' H ' ' B' ' 53' ' ' CYS . 1.1 pp -75.82 -36.62 33.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.661 ' HB2' HD12 ' A' ' 102' ' ' ILE . 9.9 mt -74.93 164.41 61.59 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.557 1.16 . . . . 0.0 109.303 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.506 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -74.92 -152.6 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.441 1.758 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -88.11 -1.87 58.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.216 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.514 ' OE1' ' CE1' ' A' ' 124' ' ' PHE . 1.9 tp10 -54.78 -56.28 21.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 110.334 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -67.1 -33.96 66.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.094 . . . . 0.0 109.263 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.424 ' C ' HG12 ' A' ' 106' ' ' VAL . 3.6 tt0 -60.04 -29.59 68.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.235 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.8 -48.31 12.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.528 ' CD ' ' C ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -58.4 -38.19 76.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.191 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 105' ' ' ARG . 8.9 p -72.53 -45.91 57.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.619 1.2 . . . . 0.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 106' ' ' VAL . 5.4 mtp-105 -46.51 -40.03 11.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -69.91 -141.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 109.667 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 3.9 mtt85 -137.5 -169.96 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.275 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.588 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 2.0 t 94.7 149.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.327 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 112' ' ' MET . 11.5 mt -81.38 164.69 21.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.525 ' SD ' ' CZ ' ' A' ' 105' ' ' ARG . 0.3 OUTLIER 159.26 101.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.942 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 116' ' ' GLU . 78.4 p -63.33 166.87 5.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.697 ' HA ' HD13 ' A' ' 117' ' ' ILE . 9.9 p -41.47 -45.09 3.09 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttt -45.18 -41.78 8.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.514 ' CB ' ' HB2' ' A' ' 112' ' ' MET . 15.6 mp0 -69.98 -42.89 72.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.269 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.697 HD13 ' HA ' ' A' ' 114' ' ' SER . 1.4 mp -50.47 -64.62 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.157 . . . . 0.0 109.322 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.799 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -54.41 -36.39 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 116' ' ' GLU . 0.3 OUTLIER -56.79 -39.65 74.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.125 . . . . 0.0 110.414 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -67.13 -47.14 72.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.386 1.054 . . . . 0.0 109.235 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.566 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 11.9 t -61.94 -35.77 70.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 55.6 tt0 -63.58 -48.62 76.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 110.24 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.761 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 0.2 OUTLIER -58.5 -39.19 79.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 109.347 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.514 ' CE1' ' OE1' ' A' ' 101' ' ' GLU . 7.5 t80 -58.52 -49.18 78.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.566 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 12.6 m170 -57.06 -58.39 8.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.609 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.65 67.04 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.165 . . . . 0.0 110.319 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.761 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . -152.78 155.71 37.68 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.6 m -118.84 83.42 2.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 130' ' ' LYS . 7.4 mmtt -126.87 129.18 47.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -39.38 108.01 0.47 Allowed Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 130.26 13.19 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.532 1.806 . . . . 0.0 111.003 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.7 mttt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.102 . . . . 0.0 109.275 -179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 4.5 t -177.27 74.38 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.412 0.713 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.03 141.15 40.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 168.54 137.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.59 137.19 0.23 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 108.287 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 152.52 40.9 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.53 1.805 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -165.81 126.3 1.28 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.644 1.215 . . . . 0.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 78.72 2.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.521 1.8 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -179.31 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 110.311 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.552 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.4 tm? -75.66 -53.25 8.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.447 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.1 m -55.21 -24.19 26.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 108.306 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.538 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.1 OUTLIER -78.12 -55.49 5.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.573 1.171 . . . . 0.0 110.28 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.6 -11.97 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.256 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -93.58 -47.21 6.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.024 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.61 ' CE2' HD22 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -58.93 -32.34 69.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.926 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.566 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 33.4 ttp85 -46.74 109.94 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.479 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 83.31 57.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.641 ' CZ ' ' CB ' ' B' ' 56' ' ' GLU . 10.6 t80 -55.45 -24.04 28.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.669 ' H ' HG22 ' A' ' 97' ' ' ILE . 1.2 m 64.03 131.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 108.33 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.646 ' CE1' ' CD2' ' A' ' 98' ' ' LEU . 0.2 OUTLIER -66.01 -30.59 71.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 111.018 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -52.7 -24.27 8.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.291 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.641 ' CB ' ' CZ ' ' B' ' 52' ' ' PHE . 5.6 mm-40 -51.75 -83.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.586 1.179 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.623 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 35.1 m -83.68 -51.53 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.237 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.5 OUTLIER 85.99 -14.73 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.019 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.84 179.57 53.09 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.419 1.075 . . . . 0.0 111.001 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -91.95 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.472 1.775 . . . . 0.0 110.95 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -60.79 -15.01 25.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.529 ' HB3' ' CG2' ' B' ' 57' ' ' VAL . 0.0 OUTLIER -59.65 -27.81 66.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -63.59 -61.13 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.074 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.614 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.8 mp -59.49 -24.04 63.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.43 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -58.29 -63.84 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.083 . . . . 0.0 110.009 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.441 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 1.1 mm100 -60.61 -45.03 95.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 0.0 110.304 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.61 HD22 ' CE2' ' B' ' 49' ' ' PHE . 37.8 mt -61.28 -68.85 0.27 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.494 1.122 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 8.8 ttt180 -37.36 -31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -69.4 -58.29 4.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.484 ' CB ' ' HB2' ' B' ' 49' ' ' PHE . 1.3 mt -68.75 -23.63 64.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.797 ' SG ' HD13 ' A' ' 89' ' ' LEU . 14.0 m -72.97 -64.67 0.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 108.306 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.525 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 0.1 OUTLIER -46.96 -33.1 4.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.091 . . . . 0.0 110.288 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.479 ' N ' ' HG3' ' B' ' 72' ' ' ARG . 20.1 mt-30 -86.91 -20.21 27.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.861 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.8 t90 -61.73 -54.2 45.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.018 ' CD1' HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.26 -51.4 4.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.579 1.174 . . . . 0.0 109.353 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.525 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.0 OUTLIER 29.79 64.46 0.83 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.273 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 129.6 12.47 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.554 1.818 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.883 ' O ' HD22 ' B' ' 79' ' ' LEU . 0.8 OUTLIER -99.28 4.82 46.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.282 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 78' ' ' GLU . 0.0 OUTLIER 169.14 -36.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.289 179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.483 ' HB3' ' CB ' ' B' ' 84' ' ' GLN . 1.1 m170 -47.2 110.19 0.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.545 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.686 HG23 ' H ' ' B' ' 83' ' ' GLU . 12.9 t -59.84 -158.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 110.408 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.745 ' O ' HD13 ' B' ' 86' ' ' LEU . 3.8 pttt -64.39 -5.37 5.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 109.348 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.686 ' H ' HG23 ' B' ' 81' ' ' THR . 6.1 tt0 -62.24 -58.54 7.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.483 ' CB ' ' HB3' ' B' ' 80' ' ' HIS . 6.7 tt0 -63.82 -42.98 97.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.527 1.142 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 1.016 HD13 HD13 ' A' ' 85' ' ' ILE . 7.6 mt -58.53 -49.57 81.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.805 ' O ' HG23 ' B' ' 90' ' ' VAL . 5.7 mp -52.16 -43.13 63.93 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.77 -21.54 60.99 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.906 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.97 -55.05 29.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.944 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.16 -43.71 81.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.805 HG23 ' O ' ' B' ' 86' ' ' LEU . 93.9 t -57.6 -31.61 39.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.155 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.794 ' O ' HD22 ' B' ' 95' ' ' LEU . 6.0 mmt -68.82 -71.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.084 . . . . 0.0 110.948 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 93' ' ' GLN . 6.3 pt-20 -43.21 -36.44 1.76 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.423 1.077 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.791 ' O ' HG22 ' B' ' 96' ' ' THR . 2.4 mp0 -76.95 -60.39 2.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.418 1.074 . . . . 0.0 110.261 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.927 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 58.6 t80 -47.14 -22.51 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 110.99 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.794 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -81.07 -38.39 27.42 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.278 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.819 HG21 ' HG3' ' A' ' 50' ' ' ARG . 6.3 t -70.78 -26.97 63.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.83 HG21 ' HB3' ' A' ' 53' ' ' CYS . 3.9 pt -73.49 -43.03 56.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 109.273 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.927 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.3 mt -79.04 167.27 36.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.528 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.5 Cg_endo -75.03 -159.97 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.495 1.787 . . . . 0.0 110.988 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -87.37 -10.05 53.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.68 -48.24 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.258 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.806 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -66.6 -38.19 81.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.806 ' H ' HD13 ' B' ' 102' ' ' ILE . 2.1 tt0 -63.83 -27.44 69.18 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.239 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.19 -46.08 30.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 mmm180 -66.15 -27.99 68.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -79.68 -39.0 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.405 ' O ' ' N ' ' B' ' 109' ' ' ARG . 0.2 OUTLIER -60.09 -44.46 94.78 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -56.55 90.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.601 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.456 ' NH1' ' HB2' ' B' ' 109' ' ' ARG . 0.0 OUTLIER -42.3 98.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.317 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.401 ' HB3' HD13 ' B' ' 111' ' ' LEU . 1.1 m -169.56 -87.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 108.298 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.625 ' H ' HD13 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -93.4 163.34 13.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.272 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.608 ' CE ' HD11 ' B' ' 117' ' ' ILE . 0.0 OUTLIER -176.26 69.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.1 OUTLIER -129.02 133.65 47.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.422 1.076 . . . . 0.0 110.097 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.743 ' HA ' HD12 ' B' ' 117' ' ' ILE . 11.3 t -45.25 -60.17 2.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.23 -19.77 5.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 109.272 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.496 ' CB ' ' O ' ' B' ' 113' ' ' SER . 2.6 tp10 -76.57 -57.61 3.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' B' ' 114' ' ' SER . 2.0 mp -48.64 -44.16 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 1.065 HG21 HD21 ' A' ' 64' ' ' LEU . 2.3 t -67.61 -46.1 83.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -51.87 -40.75 61.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.772 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -67.33 -49.23 64.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 109.258 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.778 HG21 HD22 ' B' ' 98' ' ' LEU . 1.0 OUTLIER -53.56 -34.12 23.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.85 -43.67 35.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -27.49 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -85.22 -41.45 15.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 13.4 m170 -71.32 -11.78 61.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -103.96 -61.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.423 1.077 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . -76.01 -168.17 0.86 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.399 1.062 . . . . 0.0 109.309 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.53 43.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.008 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.3 tttp -162.65 133.16 4.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.138 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.465 ' CB ' ' HD3' ' B' ' 131' ' ' PRO . 0.0 OUTLIER 173.26 -57.54 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.277 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . 0.465 ' HD3' ' CB ' ' B' ' 130' ' ' LYS . 18.0 Cg_endo -75.08 143.02 28.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.471 1.774 . . . . 0.0 110.955 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 1.5 mppp? . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.443 1.09 . . . . 0.0 109.308 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.7 m -171.37 136.51 1.02 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 0.759 . . . . 0.0 109.948 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 177.79 131.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.605 1.191 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -137.46 151.1 48.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.534 1.146 . . . . 0.0 109.265 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.5 p -178.46 154.97 0.91 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 108.304 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 41' ' ' ASP . 18.1 Cg_endo -75.01 163.14 35.91 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.61 1.847 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 40' ' ' PRO . 0.2 OUTLIER -39.45 100.55 0.22 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.08 . . . . 0.0 109.313 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 55.7 4.04 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.467 1.772 . . . . 0.0 110.956 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.495 ' CB ' ' HD3' ' A' ' 46' ' ' ARG . 8.3 pt-20 -169.82 31.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.32 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' O ' ' CB ' ' A' ' 48' ' ' SER . 3.2 tm? -88.87 -37.06 15.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 34.9 m -67.91 -37.69 82.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 108.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.495 ' HD3' ' CB ' ' A' ' 43' ' ' GLU . 1.6 ptt180 -76.05 -46.13 30.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.364 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -72.14 -15.18 61.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.533 ' CB ' ' O ' ' A' ' 44' ' ' LEU . 11.1 t -82.99 -57.08 3.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.099 . . . . 0.0 109.97 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.839 ' CB ' HD22 ' A' ' 70' ' ' LEU . 0.0 OUTLIER -61.55 -34.64 75.91 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.718 ' HE ' HD23 ' B' ' 44' ' ' LEU . 0.0 OUTLIER -77.81 -41.28 37.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.312 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.496 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 12.3 ttt180 -90.9 24.61 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -54.35 -66.91 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.412 1.07 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.492 ' H ' HG22 ' B' ' 97' ' ' ILE . 2.5 t 79.77 141.35 0.07 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.445 1.091 . . . . 0.0 108.388 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HA ' ' A' ' 60' ' ' PRO . 4.2 t80 -67.27 54.9 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.399 1.062 . . . . 0.0 110.992 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' CYS . 35.4 tt0 -132.46 12.92 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.315 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -132.96 -62.19 0.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.555 1.159 . . . . 0.0 110.278 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.731 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -45.34 -53.45 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.569 ' N ' ' CG1' ' A' ' 57' ' ' VAL . 1.1 t 82.22 -39.11 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.569 1.168 . . . . 0.0 109.973 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.01 165.61 45.62 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.3 Cg_endo -75.0 -83.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.497 1.788 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.69 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -63.62 -10.13 17.18 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.731 ' C ' HG21 ' A' ' 57' ' ' VAL . 40.7 tt0 -71.12 -27.51 63.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.242 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 1.036 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -54.0 -67.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.769 ' HG ' ' CD1' ' B' ' 94' ' ' PHE . 0.0 OUTLIER -61.96 -40.55 95.98 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.488 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 3.9 m -34.97 -59.53 0.49 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.966 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -61.23 -46.85 88.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.58 1.175 . . . . 0.0 110.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD22 ' CD2' ' A' ' 49' ' ' PHE . 66.8 mt -64.14 -21.74 66.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 109.226 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.642 ' N ' ' O ' ' A' ' 64' ' ' LEU . 40.9 ttp180 -67.87 -47.53 68.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.356 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -64.08 -37.16 86.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.839 HD22 ' CB ' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -69.81 -53.07 19.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.54 1.15 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.961 ' HB3' HD13 ' B' ' 89' ' ' LEU . 99.0 m -56.12 -58.06 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.61 1.194 . . . . 0.0 108.304 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.74 -33.62 16.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.427 1.079 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' O ' ' NE2' ' A' ' 76' ' ' GLN . 31.2 mm-40 -82.51 -16.47 48.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 110.329 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.572 ' C ' ' CD1' ' A' ' 74' ' ' TRP . 1.2 t90 -76.37 -55.05 5.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 108.0 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.99 HD11 HD21 ' B' ' 89' ' ' LEU . 79.8 mt -81.59 -57.62 3.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.459 ' C ' ' O ' ' A' ' 75' ' ' LEU . 12.7 pt20 34.48 86.09 0.14 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.62 ' HB3' ' CD2' ' A' ' 80' ' ' HIS . 18.4 Cg_endo -74.99 -101.23 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.53 1.805 . . . . 0.0 111.024 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' CB ' ' O ' ' A' ' 77' ' ' PRO . 3.7 tt0 79.62 -5.06 1.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.249 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 77' ' ' PRO . 0.0 OUTLIER -163.17 26.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.62 ' CD2' ' HB3' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -169.17 147.89 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.622 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 83' ' ' GLU . 11.9 t -103.48 -158.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.467 1.105 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.806 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -55.24 -13.31 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.161 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.616 ' H ' HG23 ' A' ' 81' ' ' THR . 12.8 mt-10 -58.46 -59.17 5.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.506 ' HB2' ' CG ' ' A' ' 80' ' ' HIS . 0.5 OUTLIER -65.07 -44.78 87.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.236 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.961 HG22 HD13 ' B' ' 75' ' ' LEU . 4.6 mt -54.97 -50.11 65.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 0.0 109.28 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.864 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.9 mp -53.99 -49.12 69.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.475 ' HA ' ' HB ' ' A' ' 90' ' ' VAL . 3.3 mt-10 -70.93 -9.72 58.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.575 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -71.66 -60.55 2.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.864 HD12 ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -67.3 -32.89 74.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.32 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG23 ' O ' ' A' ' 86' ' ' LEU . 43.7 t -62.38 -42.08 94.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.769 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.2 tpt -67.72 -68.11 0.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.96 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.511 ' CA ' HD22 ' A' ' 95' ' ' LEU . 6.5 mt-10 -37.24 -42.63 0.47 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.678 ' O ' HG22 ' A' ' 96' ' ' THR . 1.4 tm0? -75.69 -47.23 27.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.774 ' CE1' HG23 ' A' ' 118' ' ' VAL . 38.6 t80 -47.23 -27.99 1.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 111.071 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.932 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.29 -47.3 10.18 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.0 t -53.98 -28.35 37.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.45 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.766 ' CD1' ' HB1' ' B' ' 63' ' ' ALA . 5.5 pt -74.72 -35.69 37.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.76 HD13 HG21 ' A' ' 121' ' ' VAL . 6.9 mt -86.04 163.59 42.45 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.423 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.1 Cg_endo -75.12 -161.63 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.457 1.767 . . . . 0.0 110.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -77.27 -20.5 55.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 110.291 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.594 ' HB3' HD11 ' A' ' 120' ' ' LEU . 0.0 OUTLIER -42.57 -44.08 4.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.271 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.4 pp -70.97 -42.75 77.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 109.251 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.1 OUTLIER -55.54 -26.16 41.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.553 1.158 . . . . 0.0 110.296 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.02 -44.35 13.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -61.15 -24.98 66.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.43 HG12 ' C ' ' A' ' 103' ' ' GLN . 12.1 p -89.23 -43.94 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.469 1.105 . . . . 0.0 109.267 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -50.08 -45.51 52.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 110.323 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -41.18 -43.02 2.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.372 1.045 . . . . 0.0 109.562 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.72 -81.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.28 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 173.61 135.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 108.282 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.799 HD13 ' HB3' ' A' ' 116' ' ' GLU . 42.1 mt -89.77 143.19 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.436 1.085 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.91 -52.1 26.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.11 -173.56 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 110.045 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.628 ' HA ' HD13 ' A' ' 117' ' ' ILE . 11.7 p -90.91 -12.92 34.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.564 1.165 . . . . 0.0 110.026 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -41.6 89.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 1.066 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.799 ' HB3' HD13 ' A' ' 111' ' ' LEU . 2.3 mt-10 -61.93 -33.42 74.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.575 1.172 . . . . 0.0 110.38 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.712 ' CD1' HD12 ' A' ' 111' ' ' LEU . 1.8 mp -66.56 -61.88 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.774 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.5 OUTLIER -56.02 -24.51 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -67.2 -55.68 13.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.45 1.094 . . . . 0.0 110.398 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.594 HD11 ' HB3' ' A' ' 101' ' ' GLU . 0.2 OUTLIER -57.33 -37.12 72.05 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 109.358 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.76 HG21 HD13 ' A' ' 98' ' ' LEU . 40.2 t -64.49 -43.04 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.289 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.92 -26.8 63.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.269 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.762 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 28.5 t0 -73.04 -44.66 60.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.598 1.186 . . . . 0.0 109.353 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -65.22 -46.41 80.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.641 ' NE2' HG13 ' A' ' 121' ' ' VAL . 13.6 m170 -59.39 -49.93 75.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.599 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.446 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 1.1 ttt180 171.91 70.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.434 1.084 . . . . 0.0 110.332 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.762 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -38.23 117.25 0.6 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 129' ' ' LYS . 4.7 t -138.65 60.81 1.59 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.043 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 128' ' ' SER . 0.0 OUTLIER -39.96 110.75 0.16 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.581 1.176 . . . . 0.0 109.324 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.8 138.8 6.37 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.453 1.096 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 148.75 35.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.566 1.824 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 2.7 tptp . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.42 1.075 . . . . 0.0 109.333 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.0 p -175.18 127.71 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 0.78 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.76 57.64 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 170.24 160.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 2.4 p -47.76 105.15 0.46 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 0.0 108.331 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.488 ' HG2' ' CD1' ' A' ' 74' ' ' TRP . 18.5 Cg_endo -74.92 -165.65 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.539 1.81 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.04 87.73 0.13 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 0.0 109.267 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.477 ' HA ' HH21 ' A' ' 46' ' ' ARG . 18.3 Cg_endo -75.0 -91.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.527 1.803 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.19 8.83 44.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.798 HD21 ' HB3' ' B' ' 92' ' ' GLU . 2.8 tm? -64.4 -38.51 91.3 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.551 1.157 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.4 p -73.44 -24.35 60.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.17 . . . . 0.0 108.318 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.99 -55.61 18.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -78.09 -44.15 27.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.465 1.103 . . . . 0.0 110.324 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 29.3 t -45.16 -47.91 12.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.969 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.707 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 6.7 m-85 -95.81 -66.46 0.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 111.059 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.707 ' CB ' ' O ' ' B' ' 49' ' ' PHE . 2.4 ttt180 137.01 -7.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.292 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.629 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 1.6 ttt-85 95.02 73.84 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.746 ' HZ ' HG22 ' B' ' 57' ' ' VAL . 63.5 t80 -60.62 -27.7 67.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.715 ' C ' ' O ' ' B' ' 52' ' ' PHE . 35.5 m 8.32 87.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 108.354 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.628 ' C ' ' O ' ' B' ' 53' ' ' CYS . 1.0 OUTLIER 14.82 62.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 52' ' ' PHE . 0.9 OUTLIER -111.8 -51.81 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.527 ' HB2' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -63.5 -64.16 0.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.746 HG22 ' HZ ' ' B' ' 52' ' ' PHE . 1.2 m -95.54 172.46 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.3 p -131.74 8.18 4.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -104.31 -177.68 25.22 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.532 1.145 . . . . 0.0 110.973 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.609 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.03 -94.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.513 1.796 . . . . 0.0 111.001 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.41 ' HA ' HD12 ' B' ' 64' ' ' LEU . 0.2 OUTLIER -47.74 -22.42 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.337 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.614 ' C ' HG21 ' B' ' 57' ' ' VAL . 5.7 mp0 -55.11 -26.85 40.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 110.316 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.766 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -61.32 -57.38 12.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.284 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.67 ' HG ' ' CD1' ' A' ' 94' ' ' PHE . 1.2 mp -59.62 -27.38 66.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.093 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.419 ' HB3' ' HA ' ' B' ' 62' ' ' GLU . 0.0 OUTLIER -56.95 -59.77 4.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 110.022 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.5 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 8.7 tp60 -59.16 -54.4 47.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.601 HD22 ' CD2' ' B' ' 49' ' ' PHE . 85.6 mt -56.62 -63.19 1.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.542 1.152 . . . . 0.0 109.252 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.576 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 0.4 OUTLIER -37.23 -33.87 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.284 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 tp60 -71.06 -49.5 44.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.557 1.16 . . . . 0.0 110.259 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.5 ' N ' ' O ' ' B' ' 67' ' ' LEU . 13.5 mt -68.2 -35.87 78.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.678 ' HB3' HD13 ' A' ' 89' ' ' LEU . 11.1 m -62.61 -67.26 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 108.252 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.476 ' CG ' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -48.75 -34.33 11.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -79.78 -18.05 51.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.093 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.837 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.8 t90 -79.65 -54.52 5.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.98 HD23 ' HG ' ' B' ' 88' ' ' LEU . 13.7 mt -76.54 -63.92 1.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.474 ' C ' ' O ' ' B' ' 75' ' ' LEU . 8.5 pt20 32.27 76.68 0.38 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.25 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.542 ' HG3' HD11 ' B' ' 85' ' ' ILE . 18.3 Cg_endo -75.02 -60.66 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.453 1.765 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.482 ' CB ' ' O ' ' B' ' 77' ' ' PRO . 0.9 OUTLIER 86.1 64.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.348 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.528 HD13 ' HA ' ' B' ' 79' ' ' LEU . 0.2 OUTLIER 78.08 6.84 2.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.595 1.184 . . . . 0.0 109.362 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -88.2 123.14 32.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.521 1.138 . . . . 0.0 109.633 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.738 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.2 t -62.02 -158.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.156 . . . . 0.0 110.453 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.486 ' N ' ' OG1' ' B' ' 81' ' ' THR . 0.0 OUTLIER -67.91 -3.88 11.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.247 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.738 ' H ' HG23 ' B' ' 81' ' ' THR . 6.7 mt-10 -60.8 -59.7 4.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.143 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -66.7 -43.19 85.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.644 HG12 HG21 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -56.69 -53.37 42.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.669 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.3 OUTLIER -52.71 -45.97 67.14 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.474 1.109 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.49 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.4 tp10 -68.21 -18.63 64.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.98 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -64.21 -60.06 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.579 1.174 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.99 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -65.39 -43.06 91.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.358 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.669 HG23 ' O ' ' B' ' 86' ' ' LEU . 91.1 t -58.61 -32.86 47.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.883 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -68.0 -70.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 111.02 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.798 ' HB3' HD21 ' B' ' 44' ' ' LEU . 0.9 OUTLIER -45.64 -35.49 4.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.559 1.162 . . . . 0.0 110.274 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 1.008 ' O ' HG22 ' B' ' 96' ' ' THR . 12.8 mm-40 -76.77 -62.58 1.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.332 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.185 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 18.1 t80 -44.44 -37.65 3.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.164 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.883 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -70.53 -43.3 69.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 1.008 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.8 t -54.91 -26.64 37.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 1.036 HD11 ' HB1' ' A' ' 63' ' ' ALA . 1.3 pt -89.95 -39.77 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.145 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.185 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 8.7 mt -59.72 164.62 5.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.259 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.502 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -75.0 -159.26 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.501 1.79 . . . . 0.0 110.966 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.1 mp0 -85.66 -34.58 21.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.551 1.157 . . . . 0.0 110.302 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.8 tp10 -41.15 -41.79 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.316 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.84 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.3 pp -70.68 -44.56 76.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.585 1.178 . . . . 0.0 109.251 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.84 ' N ' HD12 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -48.63 -30.83 5.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.327 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.69 -43.13 17.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.512 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.8 tpt180 -60.66 -39.62 89.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -76.42 -42.37 35.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -48.03 -44.72 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -176.22 103.56 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.451 1.094 . . . . 0.0 109.653 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -174.64 33.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 18.2 m 61.0 86.59 0.1 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 108.346 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.414 ' C ' ' SD ' ' B' ' 112' ' ' MET . 1.0 OUTLIER -109.04 162.72 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -179.42 -35.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 111.078 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' B' ' 112' ' ' MET . 60.8 p -128.38 142.15 51.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.445 1.09 . . . . 0.0 110.03 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.422 ' HA ' HD13 ' B' ' 117' ' ' ILE . 81.1 p -68.3 -26.68 65.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 110.03 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -58.59 -34.04 70.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.417 ' CG ' ' HE1' ' B' ' 112' ' ' MET . 0.2 OUTLIER -63.79 -37.43 87.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.362 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.646 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.8 mp -67.83 -46.46 82.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 109.302 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 16.4 t -59.74 -52.46 60.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -55.95 -36.69 68.09 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.385 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.656 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.1 OUTLIER -59.23 -52.11 67.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.646 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 0.4 OUTLIER -57.58 -40.23 73.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.336 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.86 -40.75 85.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.758 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 85.1 m-20 -64.37 -38.04 89.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -63.86 -43.4 96.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 111.027 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.646 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 8.7 m170 -61.19 -47.7 84.94 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.49 71.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.758 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -166.77 175.45 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.386 1.054 . . . . 0.0 109.322 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.7 t -130.4 -54.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 109.969 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.35 115.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.355 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -45.95 107.05 0.62 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 150.83 38.45 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.452 1.764 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 14.4 tttt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.8 p -117.64 -61.59 1.67 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 0.74 . . . . 0.0 109.965 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.73 74.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.33 167.67 1.5 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 41.6 t -134.71 72.74 68.65 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 108.336 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 168.42 24.86 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.766 . . . . 0.0 111.056 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.4 67.24 0.34 Allowed Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.331 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 63.17 5.93 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' OE1' HG11 ' A' ' 106' ' ' VAL . 0.5 OUTLIER -169.73 -40.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.8 tm? -70.29 -52.31 23.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.0 p -68.41 -29.69 68.42 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.534 1.146 . . . . 0.0 108.265 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.442 ' O ' ' HB3' ' A' ' 50' ' ' ARG . 6.4 tmm_? -63.46 -45.05 92.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.1 tt0 -80.03 -25.62 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.8 t -62.17 -49.24 76.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.999 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -79.44 -45.01 20.25 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' N ' ' CG ' ' A' ' 49' ' ' PHE . 1.1 tmt_? -60.75 -18.98 58.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.26 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.1 OUTLIER -113.22 38.65 2.8 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.442 1.089 . . . . 0.0 110.341 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.204 ' CE1' HD11 ' A' ' 67' ' ' LEU . 15.6 p90 -74.52 -39.29 62.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.443 1.09 . . . . 0.0 110.982 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.69 ' HA ' HG22 ' B' ' 97' ' ' ILE . 0.1 OUTLIER 78.94 133.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.09 . . . . 0.0 108.326 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' O ' ' O ' ' A' ' 57' ' ' VAL . 19.6 t80 -43.05 -33.96 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 110.927 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' TYR . 2.5 tt0 -38.47 -44.98 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.544 1.153 . . . . 0.0 110.255 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 55' ' ' GLN . 5.8 tp10 -37.85 -62.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.753 HG21 ' C ' ' A' ' 62' ' ' GLU . 19.8 m -105.09 142.8 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.261 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.3 t -94.11 35.14 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.542 1.151 . . . . 0.0 109.926 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.41 ' C ' ' OH ' ' A' ' 54' ' ' TYR . . . -151.27 167.1 30.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.978 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.676 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.97 -74.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 111.054 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.801 ' HA ' HD21 ' A' ' 64' ' ' LEU . 9.7 pt20 -50.71 -20.21 1.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.753 ' C ' HG21 ' A' ' 57' ' ' VAL . 2.8 mm-40 -72.21 -18.58 61.83 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.428 1.08 . . . . 0.0 110.3 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.447 ' N ' HG21 ' A' ' 57' ' ' VAL . . . -64.72 -68.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.801 HD21 ' HA ' ' A' ' 61' ' ' GLN . 0.0 OUTLIER -62.52 -21.92 65.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.606 1.191 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 38.3 m -58.3 -60.95 2.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -62.02 -44.96 95.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.291 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.204 HD11 ' CE1' ' A' ' 52' ' ' PHE . 59.2 mt -64.32 -29.86 70.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.585 ' HA ' HG21 ' B' ' 90' ' ' VAL . 29.0 ttt85 -62.69 -37.31 85.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.337 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -72.85 -49.31 30.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 110.261 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.612 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.77 -48.8 80.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.425 1.078 . . . . 0.0 109.356 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.837 ' HB3' HD13 ' B' ' 89' ' ' LEU . 11.8 m -56.59 -55.86 28.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 108.303 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.537 ' O ' ' CB ' ' A' ' 76' ' ' GLN . 20.8 ttm-85 -46.75 -35.61 6.34 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -83.67 -19.48 35.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.858 ' CE3' HD22 ' B' ' 89' ' ' LEU . 4.4 t90 -64.52 -56.24 15.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 108.049 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.102 HD11 HD21 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -94.4 -54.01 3.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.258 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.537 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.6 OUTLIER 31.05 64.22 1.0 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.275 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.2 Cg_endo -75.02 132.13 15.05 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.529 1.805 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -100.27 -6.61 25.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -178.49 -36.72 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.44 1.087 . . . . 0.0 109.258 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.55 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.6 OUTLIER -46.37 106.79 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.563 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.553 HG23 ' H ' ' A' ' 83' ' ' GLU . 10.1 t -61.34 -155.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.567 1.167 . . . . 0.0 110.391 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.575 ' O ' HD13 ' A' ' 86' ' ' LEU . 20.1 mmtm -61.07 -6.07 1.76 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.553 ' H ' HG23 ' A' ' 81' ' ' THR . 0.3 OUTLIER -60.4 -60.6 3.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.242 -179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.463 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 38.4 tp60 -67.88 -44.13 77.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.851 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -54.92 -45.4 75.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.36 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.575 HD13 ' O ' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -58.43 -55.25 37.49 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.322 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -60.18 -16.99 37.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.006 ' HG ' HD23 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.92 -58.32 4.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.092 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.934 HD21 HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.7 -45.11 91.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.561 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 98.4 t -53.52 -41.5 45.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.893 ' C ' HD22 ' A' ' 95' ' ' LEU . 1.1 mmt -63.23 -68.52 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.948 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' HG2' ' CZ ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -44.66 -33.53 1.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 1.185 . . . . 0.0 110.319 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG23 ' A' ' 97' ' ' ILE . 3.3 tp60 -75.59 -68.21 0.59 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.111 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 44.3 t80 -42.66 -35.55 1.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.424 1.077 . . . . 0.0 111.005 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.893 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -71.28 -45.06 63.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.336 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.774 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -60.7 -29.58 69.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 110.425 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 93' ' ' GLN . 0.1 OUTLIER -81.92 -46.44 19.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.111 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 4.7 mt -55.38 151.62 18.99 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.517 ' O ' HG23 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.96 162.8 36.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.553 1.817 . . . . 0.0 110.986 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 103' ' ' GLN . 95.7 mt-10 -43.51 -20.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 110.253 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.679 ' HB3' HD11 ' A' ' 120' ' ' LEU . 1.1 mm-40 -40.77 -40.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.09 . . . . 0.0 110.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.978 ' O ' HG13 ' A' ' 106' ' ' VAL . 0.1 OUTLIER -70.66 -41.07 77.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.342 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.823 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -57.68 -25.19 59.9 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.461 1.1 . . . . 0.0 110.28 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.93 -47.2 9.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.279 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.506 ' HG3' HD22 ' A' ' 120' ' ' LEU . 0.9 OUTLIER -62.8 -24.85 67.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 110.315 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.978 HG13 ' O ' ' A' ' 102' ' ' ILE . 4.4 m -89.28 -46.19 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.416 ' HB2' ' O ' ' A' ' 103' ' ' GLN . 0.5 OUTLIER -49.16 -45.34 43.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.56 -168.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 1.092 . . . . 0.0 109.617 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.7 ptt180 -134.01 82.56 1.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.4 t -156.59 -144.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 108.311 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 111' ' ' LEU . 0.2 OUTLIER -47.96 163.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.637 ' CE ' HD11 ' A' ' 117' ' ' ILE . 6.7 tpt -175.75 70.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 116' ' ' GLU . 0.1 OUTLIER -126.5 142.11 51.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.013 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.669 ' HA ' HD12 ' A' ' 117' ' ' ILE . 78.4 p -42.63 -64.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.001 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.62 -21.87 4.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.508 ' CB ' ' O ' ' A' ' 113' ' ' SER . 0.3 OUTLIER -73.71 -46.47 45.88 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.503 1.127 . . . . 0.0 110.306 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.789 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.7 mp -58.27 -46.94 88.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.873 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -62.5 -41.44 91.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.57 -40.23 94.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.423 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -62.49 -46.26 89.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.069 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 1.005 HG21 HD13 ' A' ' 98' ' ' LEU . 55.9 t -61.33 -38.5 80.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -67.64 -30.61 70.22 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.579 1.175 . . . . 0.0 110.275 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.649 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -70.05 -42.89 72.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 12.7 t80 -72.76 -29.27 63.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 1.08 . . . . 0.0 110.99 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.706 ' CE1' ' CG1' ' A' ' 121' ' ' VAL . 18.6 m170 -82.18 -22.77 35.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.589 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.523 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 1.0 OUTLIER 156.52 75.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.159 . . . . 0.0 110.248 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.649 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -61.64 -152.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.7 t 70.2 19.78 6.51 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 109.96 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -153.7 144.54 22.68 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.59 71.95 43.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 107.38 2.47 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.455 1.766 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 23.6 tptp . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.348 179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.42 157.06 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.028 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 tptt -178.35 176.24 1.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -123.8 166.49 15.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.8 p -74.83 142.45 76.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 108.263 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 176.39 9.97 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.33 163.82 65.16 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' B' ' 43' ' ' GLU . 18.7 Cg_endo -74.97 88.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.463 1.77 . . . . 0.0 111.071 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.439 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 0.1 OUTLIER 165.36 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 110.352 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD13 ' C ' ' B' ' 44' ' ' LEU . 2.0 tm? -77.99 -52.52 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -56.12 -30.32 61.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.267 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.656 ' NH2' ' CE3' ' B' ' 74' ' ' TRP . 12.6 mmm180 -78.74 -53.05 7.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.366 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -63.89 -10.94 23.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.39 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 7.3 t -91.91 -65.18 1.03 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.602 ' CE2' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.78 -33.98 57.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.579 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.1 OUTLIER -55.18 151.29 9.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.348 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.544 ' CG ' ' O ' ' B' ' 50' ' ' ARG . 2.6 ptp180 46.43 38.39 5.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.515 ' CE2' HD12 ' A' ' 97' ' ' ILE . 0.5 OUTLIER -42.22 -56.0 3.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.427 ' O ' ' C ' ' B' ' 54' ' ' TYR . 0.8 OUTLIER 70.35 119.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 108.313 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.427 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER -35.27 134.93 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 110.972 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.493 ' O ' ' C ' ' B' ' 56' ' ' GLU . 0.0 OUTLIER 168.43 -83.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.092 . . . . 0.0 110.333 179.88 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.493 ' C ' ' O ' ' B' ' 55' ' ' GLN . 5.9 mm-40 -31.8 -63.07 0.19 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.55 ' HB ' ' CG ' ' B' ' 62' ' ' GLU . 5.3 m -86.26 135.48 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.451 1.094 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.63 29.12 6.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.943 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -132.23 170.18 21.92 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.491 1.119 . . . . 0.0 111.054 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.722 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.4 Cg_endo -75.02 -74.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.434 1.755 . . . . 0.0 110.981 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.81 ' HA ' HD21 ' B' ' 64' ' ' LEU . 3.5 mt-30 -60.68 -10.62 5.56 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.509 1.13 . . . . 0.0 110.259 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.55 ' CG ' ' HB ' ' B' ' 57' ' ' VAL . 1.6 tp10 -72.73 -21.58 61.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.531 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -63.14 -66.51 0.53 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.81 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -64.93 -20.89 66.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.492 ' O ' ' HB3' ' B' ' 68' ' ' ARG . 34.9 t -58.46 -56.88 16.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.963 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -65.68 -44.35 86.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 93' ' ' GLN . 42.0 mt -67.24 -24.84 65.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.567 1.167 . . . . 0.0 109.343 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.561 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 35.4 ttt180 -65.7 -43.96 87.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 110.281 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -70.24 -31.97 69.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' B' ' 74' ' ' TRP . 4.4 mm? -77.48 -38.99 47.99 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.485 1.116 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.728 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.7 p -59.81 -49.05 79.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 108.32 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.625 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 3.5 ttt180 -60.73 -44.81 96.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.37 -5.22 51.66 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.656 ' CE3' ' NH2' ' B' ' 46' ' ' ARG . 4.6 t90 -79.12 -55.43 5.11 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 107.943 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.934 HD21 HD21 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -98.59 -54.48 3.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.696 ' O ' ' O ' ' B' ' 75' ' ' LEU . 21.9 pt20 49.57 132.23 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 66.49 5.99 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -153.67 16.82 0.52 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.816 HD21 ' O ' ' B' ' 75' ' ' LEU . 0.4 OUTLIER -133.98 -30.21 1.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 109.217 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.602 ' CG ' ' O ' ' B' ' 79' ' ' LEU . 2.1 m170 161.45 146.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.473 ' C ' ' N ' ' B' ' 83' ' ' GLU . 10.4 t -60.18 -157.01 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 110.416 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.743 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -44.5 -21.48 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.115 . . . . 0.0 109.251 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' N ' ' C ' ' B' ' 81' ' ' THR . 13.0 mt-10 -56.54 -50.25 72.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.814 HE21 HD22 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -67.24 -47.07 71.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.292 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.536 HD13 HD13 ' A' ' 85' ' ' ILE . 5.1 mt -55.83 -54.03 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.349 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.866 ' HA ' HD11 ' B' ' 89' ' ' LEU . 10.7 mp -51.33 -42.26 61.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.278 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.05 -11.74 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.756 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -73.81 -60.45 2.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.547 1.154 . . . . 0.0 109.283 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.102 HD21 HD11 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -64.06 -35.83 82.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 0.0 109.308 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 86' ' ' LEU . 76.9 t -62.19 -41.62 92.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.468 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.3 OUTLIER -66.41 -71.09 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.998 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.66 ' HA ' HD22 ' B' ' 95' ' ' LEU . 7.1 tp10 -37.64 -37.38 0.21 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.538 1.149 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 1.001 ' O ' HG22 ' B' ' 96' ' ' THR . 1.1 mp0 -70.25 -56.73 6.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.025 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 43.0 t80 -44.8 -26.71 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.405 1.066 . . . . 0.0 111.03 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.792 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -81.05 -40.71 23.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 1.001 HG22 ' O ' ' B' ' 93' ' ' GLN . 8.4 t -56.53 -27.84 58.5 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.4 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.983 HG21 ' CE1' ' A' ' 52' ' ' PHE . 1.1 pp -93.24 -45.24 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.025 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 2.8 mt -46.55 153.71 0.74 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.467 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.04 -160.6 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.49 1.784 . . . . 0.0 111.017 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.74 -0.48 30.44 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.253 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 1.0 ' HB3' HD11 ' B' ' 120' ' ' LEU . 0.1 OUTLIER -54.76 -51.02 66.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.343 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.869 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -61.57 -35.3 66.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.531 1.144 . . . . 0.0 109.278 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.503 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -65.02 -31.9 73.36 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.75 41.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -67.18 -29.71 69.47 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.12 . . . . 0.0 110.312 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.869 HG23 ' O ' ' B' ' 102' ' ' ILE . 26.9 t -66.91 -51.18 57.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -59.69 -39.92 86.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.245 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.494 ' O ' ' C ' ' B' ' 109' ' ' ARG . 80.1 m-70 -105.48 102.28 11.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.494 ' C ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER -31.24 126.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -178.03 -52.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 108.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.769 ' C ' HD22 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -51.07 163.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.472 ' CE ' ' HG3' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.08 -59.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 110.968 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.98 136.89 47.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 110.022 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 61.7 p -48.18 -49.55 32.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.111 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.77 -31.18 4.56 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.472 ' HG3' ' CE ' ' B' ' 112' ' ' MET . 0.1 OUTLIER -70.2 -60.96 1.97 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.399 1.062 . . . . 0.0 110.362 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.647 ' O ' HG23 ' B' ' 121' ' ' VAL . 2.8 mp -40.57 -52.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.748 ' CG2' ' CZ ' ' B' ' 94' ' ' PHE . 1.5 t -59.67 -41.89 86.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . 0.459 ' N ' ' O ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -58.12 -44.29 87.68 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 1.0 HD11 ' HB3' ' B' ' 101' ' ' GLU . 0.3 OUTLIER -58.69 -47.7 83.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.419 1.074 . . . . 0.0 109.278 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.653 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 25.5 t -56.22 -42.92 74.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.255 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.29 -32.18 73.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.396 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.44 ' HA ' ' CA ' ' B' ' 127' ' ' ALA . 9.7 t0 -67.73 -31.66 71.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 109.254 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -93.56 -12.26 29.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 1.165 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.653 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 14.4 m170 -94.35 -19.59 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.631 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' B' ' 127' ' ' ALA . 0.0 OUTLIER 172.54 38.73 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.44 ' CA ' ' HA ' ' B' ' 123' ' ' ASP . . . 50.79 176.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 10.4 t 174.49 39.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 110.055 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 7.4 mttt 64.22 153.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.246 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.91 84.8 52.78 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 110.45 3.12 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.55 1.816 . . . . 0.0 111.044 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 109.188 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.6 t -178.89 89.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 0.798 . . . . 0.0 110.001 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -73.81 -67.68 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.411 1.069 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 70.94 70.72 0.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.9 p -169.1 157.85 7.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 108.253 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 121.53 6.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.528 1.804 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.55 156.53 77.1 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 94.26 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.507 1.793 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -171.4 -48.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -69.67 -50.31 45.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.688 ' SG ' HD11 ' A' ' 70' ' ' LEU . 2.3 t -71.3 -26.78 63.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.612 ' HD2' ' CZ2' ' A' ' 74' ' ' TRP . 14.4 mtm180 -62.5 -50.47 71.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.277 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.4 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 1.1 tp60 -80.27 -27.19 38.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 110.224 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 32.6 t -57.8 -54.63 44.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.627 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -76.46 -47.34 23.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.598 1.186 . . . . 0.0 110.999 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.623 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -49.52 -23.68 1.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 110.293 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -109.1 32.8 4.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 56' ' ' GLU . 23.3 t80 -41.31 -56.22 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 54' ' ' TYR . 19.6 t 61.73 58.67 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 108.324 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.632 ' CZ ' HG11 ' A' ' 57' ' ' VAL . 0.1 OUTLIER 34.76 -152.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.624 ' CB ' ' O ' ' A' ' 54' ' ' TYR . 7.1 tt0 97.48 -73.33 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.265 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -61.22 -44.58 97.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.122 . . . . 0.0 110.303 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.67 HG22 ' CB ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.56 121.44 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.243 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.14 7.27 46.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.564 ' O ' HG13 ' A' ' 57' ' ' VAL . . . -170.62 -158.24 14.14 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 111.01 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -77.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.62 ' HA ' HG21 ' B' ' 118' ' ' VAL . 0.0 OUTLIER -61.0 -11.64 8.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.105 . . . . 0.0 110.255 -179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.67 ' CB ' HG22 ' A' ' 57' ' ' VAL . 0.4 OUTLIER -51.11 -22.18 2.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.799 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -63.67 -56.23 17.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.657 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -64.76 -25.43 67.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.441 1.088 . . . . 0.0 109.273 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 2.4 m -59.32 -63.78 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.35 -49.06 77.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.1 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.541 HD21 ' HB2' ' A' ' 52' ' ' PHE . 85.6 mt -60.38 -64.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.571 1.169 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.586 ' CB ' ' O ' ' A' ' 64' ' ' LEU . 1.5 tmm_? -36.38 -33.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 110.313 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -71.03 -51.82 23.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 110.322 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' SG ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER -68.78 -39.14 80.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.419 1.074 . . . . 0.0 109.266 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.664 ' CB ' HD13 ' B' ' 89' ' ' LEU . 12.4 m -54.91 -62.32 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 108.32 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.74 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -52.59 -34.34 50.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -77.0 -16.02 59.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.142 . . . . 0.0 110.25 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.917 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -77.34 -56.17 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 108.045 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.032 HD11 HD21 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -99.14 -56.17 2.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.524 ' CA ' ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 66.46 143.1 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.226 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.453 ' C ' ' CG ' ' A' ' 78' ' ' GLU . 18.0 Cg_endo -75.11 151.22 38.75 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 0.0 111.028 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.453 ' CG ' ' C ' ' A' ' 77' ' ' PRO . 0.1 OUTLIER 165.21 62.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.335 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 78' ' ' GLU . 4.6 mm? 68.83 10.88 8.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.255 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.574 ' CG ' ' CD ' ' A' ' 84' ' ' GLN . 11.8 m170 -79.97 95.43 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.475 1.11 . . . . 0.0 109.64 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 83' ' ' GLU . 7.6 t -71.76 -158.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.418 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.516 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -53.62 -16.64 1.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.326 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' H ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -47.78 -48.9 30.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 110.294 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.574 ' CD ' ' CG ' ' A' ' 80' ' ' HIS . 13.2 mp0 -67.33 -38.55 85.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.235 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.048 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -57.38 -62.65 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.609 1.193 . . . . 0.0 109.289 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.797 HD12 HG22 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -50.01 -67.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.341 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CB ' ' A' ' 91' ' ' MET . 2.3 tt0 -38.9 -34.64 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 110.386 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.677 HD11 HD23 ' B' ' 89' ' ' LEU . 0.1 OUTLIER -57.3 -70.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.559 1.162 . . . . 0.0 109.302 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.082 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.89 -48.99 64.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.877 HG12 HD23 ' B' ' 64' ' ' LEU . 97.2 t -45.8 -41.98 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.741 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.6 -72.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.458 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.1 mt-10 -36.23 -39.93 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.892 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 mm-40 -79.87 -45.54 18.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 110.334 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.856 ' CE1' HG23 ' A' ' 118' ' ' VAL . 12.0 t80 -44.16 -36.85 2.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 1.0 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -80.58 -47.8 13.63 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.441 1.088 . . . . 0.0 109.313 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.892 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.9 t -42.08 -30.74 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.973 HD11 ' HB1' ' B' ' 63' ' ' ALA . 13.3 pt -85.84 -41.02 15.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 94' ' ' PHE . 15.2 mt -65.74 163.42 35.4 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.537 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.98 -156.87 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.499 1.789 . . . . 0.0 111.086 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -93.59 -24.7 17.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 110.299 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.453 ' HG3' HD11 ' A' ' 120' ' ' LEU . 6.9 pt-20 -46.11 -42.94 14.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.53 1.143 . . . . 0.0 110.234 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.86 HD13 ' H ' ' A' ' 103' ' ' GLN . 0.1 OUTLIER -70.92 -37.93 70.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.143 . . . . 0.0 109.289 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.86 ' H ' HD13 ' A' ' 102' ' ' ILE . 0.8 OUTLIER -62.65 -22.24 66.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -86.17 -42.47 13.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -26.59 65.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.449 1.093 . . . . 0.0 110.259 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.719 HG13 ' O ' ' A' ' 102' ' ' ILE . 18.2 m -87.5 -46.05 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.226 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.41 ' N ' HG23 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -53.06 -45.28 68.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.481 ' O ' ' N ' ' A' ' 110' ' ' CYS . 1.9 m-70 -69.13 124.44 23.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.607 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.3 mtt180 -56.86 84.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.408 1.068 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' A' ' 108' ' ' HIS . 0.0 OUTLIER 179.18 45.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 108.331 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.657 ' H ' HD13 ' A' ' 111' ' ' LEU . 0.0 OUTLIER -105.45 161.12 14.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.462 ' HG2' ' N ' ' A' ' 113' ' ' SER . 41.9 ttp -120.14 -86.8 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.509 ' O ' ' CD1' ' A' ' 117' ' ' ILE . 0.5 OUTLIER -131.79 -178.5 4.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.939 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 77.0 p -65.59 -32.1 73.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.026 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -43.92 96.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.438 ' HB2' ' HE2' ' A' ' 112' ' ' MET . 4.3 tm-20 -56.48 -39.73 73.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.351 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.509 HG23 ' HB ' ' A' ' 102' ' ' ILE . 2.7 mp -64.2 -62.72 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.856 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.4 -18.07 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.676 HG22 ' N ' ' A' ' 120' ' ' LEU . 0.6 OUTLIER -72.97 -68.49 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.125 . . . . 0.0 110.385 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.686 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.1 OUTLIER -45.18 -39.67 6.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.592 HG12 ' N ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -69.67 -55.82 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.592 ' N ' HG12 ' A' ' 121' ' ' VAL . 76.1 tt0 -38.53 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.446 1.091 . . . . 0.0 110.297 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.891 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 5.1 m-20 -77.45 -63.71 1.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -66.88 -8.54 29.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.945 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.577 ' N ' ' O ' ' A' ' 121' ' ' VAL . 0.1 OUTLIER -101.8 -28.57 12.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.621 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.708 ' O ' ' HB2' ' A' ' 127' ' ' ALA . 21.9 ttt85 178.39 67.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 110.322 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.891 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . 162.32 -165.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.51 86.52 0.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.17 . . . . 0.0 110.028 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 75.46 101.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.283 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 179.72 90.62 0.19 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 136.26 20.22 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.563 1.823 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -170.25 149.0 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 0.81 . . . . 0.0 109.981 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 179.39 5.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -40.68 142.56 0.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.91 125.37 57.3 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 108.305 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . 0.419 ' O ' ' O ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -74.94 -171.97 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.781 . . . . 0.0 111.039 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.419 ' O ' ' O ' ' B' ' 40' ' ' PRO . 0.7 OUTLIER 61.7 136.82 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.234 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 168.11 25.56 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 71.52 42.2 0.68 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.485 HD13 ' C ' ' B' ' 44' ' ' LEU . 2.0 tm? -83.05 -60.27 2.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.414 1.071 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.453 ' N ' HD13 ' B' ' 44' ' ' LEU . 4.2 t -48.14 -30.49 4.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 108.279 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.559 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -81.05 -46.31 15.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.536 1.148 . . . . 0.0 110.279 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.426 ' C ' ' HG2' ' B' ' 50' ' ' ARG . 47.0 tt0 -63.96 -12.67 39.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.342 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 17.7 t -97.7 -46.84 5.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.047 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -59.3 -37.3 77.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.956 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -38.34 117.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.258 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.451 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 80.79 57.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 1.109 . . . . 0.0 110.294 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.679 ' HZ ' HG13 ' B' ' 57' ' ' VAL . 14.2 t80 -38.08 -31.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.6 1.187 . . . . 0.0 111.061 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.632 ' H ' HG22 ' A' ' 97' ' ' ILE . 0.5 OUTLIER 77.0 103.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.093 . . . . 0.0 108.307 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.693 ' HD1' HD12 ' A' ' 97' ' ' ILE . 3.5 t80 -49.16 -32.52 10.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -50.95 -28.3 9.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.626 ' HB2' ' CZ ' ' B' ' 52' ' ' PHE . 11.0 mm-40 -51.64 -81.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.679 HG13 ' HZ ' ' B' ' 52' ' ' PHE . 31.0 m -86.32 144.76 8.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.467 ' O ' ' CE1' ' A' ' 125' ' ' HIS . 0.2 OUTLIER -96.59 8.1 44.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.037 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -110.31 167.86 12.83 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.155 . . . . 0.0 111.027 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.437 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.98 -87.21 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.506 1.793 . . . . 0.0 111.048 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -46.19 -23.84 0.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.464 ' C ' HG21 ' B' ' 57' ' ' VAL . 6.0 tt0 -55.98 -28.69 58.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.084 . . . . 0.0 110.35 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.973 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -58.42 -56.25 24.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.355 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.877 HD23 HG12 ' A' ' 90' ' ' VAL . 2.8 mp -63.43 -28.03 69.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.424 1.078 . . . . 0.0 109.354 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -53.64 -65.03 0.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.585 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 0.0 OUTLIER -59.36 -45.25 91.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.496 ' CD2' ' HB2' ' B' ' 52' ' ' PHE . 32.9 mt -56.12 -67.1 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.56 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 0.3 OUTLIER -37.44 -35.68 0.13 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.553 1.158 . . . . 0.0 110.235 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -66.53 -49.82 65.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.519 HD12 ' HB2' ' B' ' 49' ' ' PHE . 3.8 mm? -75.14 -58.83 3.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.368 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.963 ' HB3' HD13 ' A' ' 89' ' ' LEU . 8.7 m -41.72 -47.56 4.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.404 1.065 . . . . 0.0 108.263 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.453 ' CB ' ' O ' ' B' ' 68' ' ' ARG . 7.2 ttt180 -63.22 -42.25 99.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 70' ' ' LEU . 1.7 tt0 -75.07 -4.95 41.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.326 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.823 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -81.56 -56.9 3.72 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.082 HD11 HD21 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -90.6 -60.1 2.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.312 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 0.0 OUTLIER 37.65 60.58 4.26 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.262 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.477 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.2 Cg_endo -75.0 -167.68 0.44 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -121.41 -24.08 5.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.488 1.117 . . . . 0.0 110.338 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' B' ' 80' ' ' HIS . 6.3 mp -102.64 -37.75 7.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.676 ' CD2' ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 63.3 14.43 7.82 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.474 1.109 . . . . 0.0 109.624 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.735 HG23 ' HB2' ' B' ' 83' ' ' GLU . 1.5 t -62.11 -179.23 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.514 ' HB2' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -64.7 -9.8 22.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.735 ' HB2' HG23 ' B' ' 81' ' ' THR . 2.6 tt0 -58.23 -57.98 10.5 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.504 1.128 . . . . 0.0 110.257 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.427 ' O ' ' HB2' ' B' ' 88' ' ' LEU . 0.2 OUTLIER -70.04 -42.03 73.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.218 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 1.024 HG23 HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.3 -65.23 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.74 HD21 ' HB2' ' A' ' 72' ' ' ARG . 6.8 mp -49.44 -63.94 0.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.333 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' B' ' 91' ' ' MET . 5.2 tt0 -43.22 -34.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.168 . . . . 0.0 110.311 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.568 HD22 HD22 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -53.27 -72.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.032 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -69.73 -45.66 67.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.565 1.165 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.657 HG12 HD23 ' A' ' 64' ' ' LEU . 68.3 t -48.45 -34.57 5.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.721 ' O ' ' HG ' ' B' ' 95' ' ' LEU . 1.2 tpt -77.07 -75.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.105 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.432 ' O ' ' HB ' ' B' ' 96' ' ' THR . 1.4 mm-40 -40.13 -28.95 0.06 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.511 1.132 . . . . 0.0 110.268 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.627 ' HG2' ' CZ ' ' A' ' 49' ' ' PHE . 0.5 OUTLIER -85.63 -58.42 2.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.896 ' CE1' HG23 ' B' ' 118' ' ' VAL . 11.6 t80 -41.27 -22.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.721 ' HG ' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -95.32 -47.34 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.363 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.492 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -53.69 -28.04 31.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.799 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.1 pt -74.31 -33.27 33.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' B' ' 94' ' ' PHE . 3.5 mt -83.98 161.27 55.86 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.325 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.5 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -75.06 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.502 1.79 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -83.46 -2.03 54.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.64 -53.06 59.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.529 1.143 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.779 ' HA ' HD21 ' B' ' 120' ' ' LEU . 0.2 OUTLIER -62.32 -36.49 74.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.552 ' H ' HD13 ' B' ' 102' ' ' ILE . 0.0 OUTLIER -67.06 -24.95 66.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.04 -46.11 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.58 -18.15 61.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.854 HG22 ' HG2' ' B' ' 112' ' ' MET . 38.0 t -84.99 -41.81 16.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.553 1.158 . . . . 0.0 109.36 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -69.7 -38.06 76.82 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.125 . . . . 0.0 110.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.471 ' O ' ' CG ' ' B' ' 109' ' ' ARG . 6.1 m80 -100.85 83.81 2.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.484 1.115 . . . . 0.0 109.638 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' B' ' 108' ' ' HIS . 0.2 OUTLIER 163.21 -175.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.264 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 90.0 m -111.77 -73.1 0.69 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 108.317 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.24 161.55 23.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.854 ' HG2' HG22 ' B' ' 106' ' ' VAL . 1.0 OUTLIER 174.89 73.47 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.48 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -76.31 153.77 35.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.974 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 83.5 p -40.16 -48.53 2.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.452 1.095 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -43.9 87.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.0 OUTLIER -59.87 -36.79 77.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.535 ' HA ' HD23 ' B' ' 120' ' ' LEU . 2.2 mp -61.57 -62.74 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.435 1.084 . . . . 0.0 109.258 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.896 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -54.76 -24.95 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.233 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.9 -46.42 57.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 110.432 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.779 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -60.84 -39.35 88.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.657 ' O ' ' CD2' ' B' ' 125' ' ' HIS . 74.8 t -67.57 -42.05 86.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -61.89 -49.25 76.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.981 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 65.7 m-20 -53.97 -56.99 12.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -46.14 -58.89 3.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 110.974 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.657 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 15.1 m170 -44.6 -65.41 0.52 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 109.571 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 0.0 OUTLIER 172.44 71.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 110.305 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.981 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -121.74 -46.27 2.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.363 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.3 t -175.03 -72.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.989 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 1.6 tttm 172.46 176.14 0.09 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.408 1.067 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -172.64 90.04 0.4 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 148.66 35.77 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.544 1.813 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 5.9 tttt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.11 126.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.97 153.36 31.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -140.61 104.93 4.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.4 t 51.6 69.13 2.68 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 108.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -174.9 2.09 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.508 1.794 . . . . 0.0 111.011 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HB3' ' CB ' ' A' ' 44' ' ' LEU . 70.2 m-20 -157.46 128.65 3.73 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -38.07 1.73 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.505 1.792 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -161.82 49.66 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.468 HD13 ' N ' ' A' ' 45' ' ' CYS . 1.4 tm? -74.37 -60.65 2.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.468 ' N ' HD13 ' A' ' 44' ' ' LEU . 95.9 m -64.83 -44.16 90.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.347 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -41.55 67.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.47 ' O ' ' HB2' ' A' ' 51' ' ' ARG . 2.2 tt0 -76.04 -34.27 59.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.0 m -53.08 -45.29 68.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 0.0 110.037 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CE2' ' HG3' ' B' ' 93' ' ' GLN . 80.6 m-85 -79.32 -57.41 3.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.568 1.167 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -51.73 -18.95 1.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' A' ' 47' ' ' GLN . 0.2 OUTLIER -97.19 0.54 48.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.546 1.153 . . . . 0.0 110.352 179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 1.038 ' CG ' HD21 ' A' ' 67' ' ' LEU . 48.7 t80 -82.37 -65.23 1.04 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.473 ' O ' ' O ' ' A' ' 52' ' ' PHE . 2.6 t 60.42 130.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 108.311 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.647 ' CA ' HD12 ' B' ' 97' ' ' ILE . 1.0 OUTLIER -48.14 -33.68 8.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.99 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -42.85 -35.65 1.25 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.21 -82.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.316 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 HG21 ' C ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -48.46 133.76 5.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.307 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.81 -14.81 22.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.064 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -98.58 174.97 28.71 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.49 ' HB2' ' CG1' ' B' ' 118' ' ' VAL . 18.2 Cg_endo -74.96 -86.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.504 1.792 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.408 ' HG2' HD13 ' A' ' 64' ' ' LEU . 1.8 tt0 -62.69 -12.2 22.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.54 ' C ' HG21 ' A' ' 57' ' ' VAL . 14.7 tt0 -51.13 -34.67 31.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 110.307 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.421 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . . . -53.9 -61.9 2.0 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.925 HD23 HG12 ' B' ' 90' ' ' VAL . 2.5 mp -54.71 -27.99 44.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.348 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 62' ' ' GLU . 0.3 OUTLIER -52.4 -62.75 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.439 1.087 . . . . 0.0 109.961 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HB3' ' A' ' 69' ' ' GLN . 0.9 OUTLIER -65.99 -50.78 63.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.348 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.038 HD21 ' CG ' ' A' ' 52' ' ' PHE . 13.4 mt -54.99 -59.36 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.269 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.998 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.0 ttp180 -42.29 -40.47 2.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.494 ' O ' ' HB2' ' A' ' 73' ' ' GLN . 3.6 tt0 -57.91 -41.26 82.28 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.549 1.156 . . . . 0.0 110.307 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' ' 67' ' ' LEU . 2.2 mm? -74.2 -30.34 62.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.273 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.754 ' HB3' HD13 ' B' ' 89' ' ' LEU . 12.2 m -65.53 -61.78 1.9 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.434 1.084 . . . . 0.0 108.323 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.561 ' HG2' HD23 ' B' ' 86' ' ' LEU . 15.4 mtt180 -52.55 -35.27 53.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.263 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 0.0 OUTLIER -80.27 -18.71 48.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 110.29 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.669 ' CE3' HD22 ' B' ' 89' ' ' LEU . 3.1 t90 -69.38 -55.55 10.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.544 1.153 . . . . 0.0 108.046 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.885 HD11 HD11 ' B' ' 89' ' ' LEU . 0.2 OUTLIER -90.01 -55.1 3.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 3.2 tp-100 39.02 60.72 5.48 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.331 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.581 ' HG2' ' CG ' ' B' ' 82' ' ' LYS . 18.0 Cg_endo -75.08 131.89 14.7 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.802 . . . . 0.0 110.961 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 79' ' ' LEU . 59.0 mt-10 -108.52 -3.29 18.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 110.353 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.541 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.1 pp 178.41 -36.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.361 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.541 ' N ' HD12 ' A' ' 79' ' ' LEU . 1.6 m170 -47.33 111.55 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.57 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.73 HG23 ' H ' ' A' ' 83' ' ' GLU . 9.0 t -60.66 -156.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.537 1.148 . . . . 0.0 110.41 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.769 ' O ' HD13 ' A' ' 86' ' ' LEU . 2.5 mptt -66.38 -5.43 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.415 1.072 . . . . 0.0 109.234 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.73 ' H ' HG23 ' A' ' 81' ' ' THR . 3.7 tt0 -61.77 -57.33 12.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' CB ' ' HB3' ' A' ' 80' ' ' HIS . 5.2 tt0 -65.3 -38.45 90.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.7 OUTLIER -59.96 -49.36 84.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.917 ' O ' HG23 ' A' ' 90' ' ' VAL . 9.1 mp -58.1 -42.46 85.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -75.16 -13.83 60.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.069 . . . . 0.0 110.305 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD23 ' CD2' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -74.03 -56.28 5.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.971 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -67.69 -31.7 71.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 109.244 -179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.917 HG23 ' O ' ' A' ' 86' ' ' LEU . 74.3 t -68.39 -40.6 82.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.855 ' O ' HD22 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -67.13 -69.32 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 111.04 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.476 ' CA ' HD22 ' A' ' 95' ' ' LEU . 1.4 tm-20 -43.3 -39.88 3.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.934 ' O ' HG22 ' A' ' 96' ' ' THR . 0.1 OUTLIER -74.51 -52.3 12.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.939 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 29.1 t80 -43.83 -36.32 2.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.918 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -74.82 -43.82 52.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 109.303 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.934 HG22 ' O ' ' A' ' 93' ' ' GLN . 2.9 t -54.07 -27.42 32.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.588 1.18 . . . . 0.0 110.38 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.951 HD11 ' HB1' ' B' ' 63' ' ' ALA . 5.8 pt -87.89 -40.42 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.551 1.157 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.939 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 14.9 mt -64.62 145.15 98.73 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.433 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.97 -160.56 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.49 1.784 . . . . 0.0 110.938 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 103' ' ' GLN . 9.1 pt-20 -64.97 -8.22 14.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.758 ' HB3' HD11 ' A' ' 120' ' ' LEU . 11.8 mm-40 -46.49 -51.24 15.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.463 ' O ' ' HG3' ' A' ' 105' ' ' ARG . 0.2 OUTLIER -66.08 -27.37 40.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.536 ' HA ' HG12 ' A' ' 106' ' ' VAL . 0.9 OUTLIER -74.78 -21.03 59.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.259 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.9 -40.9 16.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 109.274 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HG3' ' N ' ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.18 -29.88 67.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 103' ' ' GLN . 8.9 p -79.96 -48.43 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 109.234 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' N ' HG13 ' A' ' 106' ' ' VAL . 29.1 mtt180 -60.55 -40.46 91.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.296 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -68.64 -82.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 0.0 109.61 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -106.17 -173.76 2.37 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.466 1.104 . . . . 0.0 110.29 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -107.69 -62.63 1.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 108.324 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.723 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.5 OUTLIER -49.08 149.43 1.96 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.597 ' CB ' ' O ' ' A' ' 111' ' ' LEU . 8.7 mmm 153.27 91.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 116' ' ' GLU . 76.7 p -63.13 149.0 46.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.934 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.487 ' HA ' HD13 ' A' ' 117' ' ' ILE . 93.5 p -40.2 -58.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.041 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.59 -36.13 2.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.12 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.499 ' N ' ' O ' ' A' ' 113' ' ' SER . 11.1 tt0 -70.31 -39.2 74.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.224 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.823 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.2 mp -56.84 -60.05 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 109.375 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.8 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -55.44 -35.03 36.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -46.21 90.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.823 HD23 ' HA ' ' A' ' 117' ' ' ILE . 0.2 OUTLIER -63.54 -34.39 77.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.278 -179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.653 HG13 ' NE2' ' A' ' 125' ' ' HIS . 59.5 t -69.34 -39.67 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.269 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.32 -33.01 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.281 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.633 ' CA ' ' HB2' ' A' ' 127' ' ' ALA . 0.5 OUTLIER -70.9 -41.07 71.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.304 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.48 ' CD1' ' OE1' ' A' ' 101' ' ' GLU . 2.9 t80 -70.24 -26.87 64.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.997 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.653 ' NE2' HG13 ' A' ' 121' ' ' VAL . 18.9 m170 -82.71 -40.98 19.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.569 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 125' ' ' HIS . 6.0 ttm180 178.05 70.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.633 ' HB2' ' CA ' ' A' ' 123' ' ' ASP . . . -56.82 157.85 5.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 174.66 57.54 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.959 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.66 -78.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -154.04 111.15 2.49 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.325 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 121.36 6.54 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.596 1.84 . . . . 0.0 111.028 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.8 tttt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 -179.952 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.7 110.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.549 0.793 . . . . 0.0 110.03 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -168.72 117.82 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.58 1.175 . . . . 0.0 109.27 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -172.51 130.25 0.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -177.51 169.79 1.01 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.603 1.189 . . . . 0.0 108.337 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 176.01 10.44 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.405 1.739 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.411 ' CB ' ' CD ' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -167.11 173.86 2.84 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.413 ' O ' ' OE2' ' B' ' 43' ' ' GLU . 18.1 Cg_endo -74.96 -15.92 20.59 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.496 1.788 . . . . 0.0 111.059 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.456 ' OE1' ' NH1' ' B' ' 46' ' ' ARG . 0.2 OUTLIER -174.6 63.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.511 1.132 . . . . 0.0 110.273 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.999 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.0 OUTLIER -78.82 -50.47 11.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.999 ' N ' HD13 ' B' ' 44' ' ' LEU . 46.7 m -52.27 -27.21 14.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 108.375 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.525 ' HG3' ' CE2' ' B' ' 74' ' ' TRP . 30.8 ttp180 -79.99 -52.96 7.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.01 -11.16 26.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 1.2 t -92.89 -58.32 2.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.564 1.165 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.577 ' CZ ' ' CD ' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -55.15 -30.4 59.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' B' ' 49' ' ' PHE . 0.2 OUTLIER -40.78 102.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.484 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.6 OUTLIER 82.82 59.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.782 ' CB ' HD21 ' B' ' 67' ' ' LEU . 19.8 t80 -49.76 -31.6 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.997 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.702 ' H ' HG22 ' A' ' 97' ' ' ILE . 4.1 t 60.9 125.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 108.27 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.624 ' HD1' HD12 ' A' ' 97' ' ' ILE . 6.9 t80 -54.02 -29.73 44.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' B' ' 54' ' ' TYR . 1.8 mt-30 -37.7 -34.12 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.38 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.692 ' CB ' ' CE1' ' B' ' 52' ' ' PHE . 8.4 mm-40 -60.03 -74.27 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 110.292 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.66 HG21 ' C ' ' B' ' 62' ' ' GLU . 17.7 m -101.7 131.93 48.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.25 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.93 5.54 51.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.023 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.418 ' O ' ' OH ' ' B' ' 54' ' ' TYR . . . -90.12 172.19 38.0 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.516 ' O ' HG21 ' A' ' 118' ' ' VAL . 18.3 Cg_endo -74.98 -84.03 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.513 1.796 . . . . 0.0 110.963 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -10.64 18.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.38 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.66 ' C ' HG21 ' B' ' 57' ' ' VAL . 4.1 tt0 -59.44 -30.11 68.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.951 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.7 -61.77 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.909 HD23 HG12 ' A' ' 90' ' ' VAL . 2.7 mp -58.86 -27.25 64.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.262 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -59.78 4.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.007 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -59.87 -45.01 93.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.302 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.782 HD21 ' CB ' ' B' ' 52' ' ' PHE . 39.4 mt -59.76 -67.32 0.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.501 ' HA ' HG21 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -33.65 -40.65 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.47 1.106 . . . . 0.0 110.232 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -48.11 68.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 110.297 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.577 ' N ' ' O ' ' B' ' 67' ' ' LEU . 2.3 mm? -71.77 -57.48 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.622 ' HB2' HD13 ' A' ' 89' ' ' LEU . 0.5 OUTLIER -40.83 -47.24 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 108.253 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.57 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 53.5 ttt180 -61.73 -48.91 78.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.83 -1.68 23.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.598 1.186 . . . . 0.0 110.272 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.585 ' CZ3' ' HB3' ' A' ' 89' ' ' LEU . 3.2 t90 -84.41 -53.52 5.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 107.98 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.976 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -93.76 -61.86 1.46 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.526 ' C ' ' O ' ' B' ' 75' ' ' LEU . 0.0 OUTLIER 26.98 80.19 0.22 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.283 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CE ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -74.95 156.13 43.2 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.562 1.822 . . . . 0.0 111.064 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -109.1 -5.45 15.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 110.302 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 1.023 HD13 ' N ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER 174.12 -37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.102 . . . . 0.0 109.26 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 1.023 ' N ' HD13 ' B' ' 79' ' ' LEU . 4.7 m170 -58.75 121.79 11.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 109.593 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.685 HG23 ' H ' ' B' ' 83' ' ' GLU . 13.2 t -59.27 -158.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.364 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.841 ' HA ' HD12 ' B' ' 85' ' ' ILE . 0.0 OUTLIER -56.09 -16.08 4.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.685 ' H ' HG23 ' B' ' 81' ' ' THR . 72.2 mt-10 -50.09 -47.54 53.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.507 ' O ' HD22 ' B' ' 88' ' ' LEU . 11.3 tp60 -61.37 -32.75 72.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.115 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.848 HG21 HG12 ' A' ' 85' ' ' ILE . 4.6 mt -75.06 -50.83 23.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.891 ' O ' HG23 ' B' ' 90' ' ' VAL . 10.9 mp -48.46 -38.85 21.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' B' ' 84' ' ' GLN . 0.0 OUTLIER -77.99 -27.79 49.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 110.365 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.677 ' HG ' HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -56.14 -51.2 68.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.258 179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.885 HD11 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.81 -49.95 54.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.998 HG22 ' HA ' ' A' ' 68' ' ' ARG . 77.8 t -41.82 -42.83 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.813 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -72.37 -74.2 0.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' B' ' 91' ' ' MET . 15.1 tt0 -33.75 -44.62 0.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.104 . . . . 0.0 110.277 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.971 ' O ' HG22 ' B' ' 96' ' ' THR . 12.0 mm100 -73.63 -62.65 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 110.371 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 1.122 ' CZ ' HD11 ' B' ' 98' ' ' LEU . 12.5 t80 -38.63 -37.28 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.82 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -71.48 -45.08 63.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.557 1.16 . . . . 0.0 109.23 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.971 HG22 ' O ' ' B' ' 93' ' ' GLN . 5.4 t -50.65 -26.05 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.406 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.805 HG21 HD11 ' A' ' 67' ' ' LEU . 0.6 OUTLIER -92.99 -35.32 6.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.578 1.174 . . . . 0.0 109.241 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 1.122 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 12.3 mt -58.85 161.79 8.05 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.42 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.1 Cg_endo -75.0 -158.52 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.449 1.762 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -88.34 -30.28 19.68 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.394 1.059 . . . . 0.0 110.343 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.49 ' HG2' ' CE1' ' B' ' 124' ' ' PHE . 1.0 OUTLIER -45.08 -42.73 8.95 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.836 HG21 HD13 ' B' ' 98' ' ' LEU . 2.0 pp -64.24 -43.41 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.788 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.2 mt-30 -56.44 -36.89 69.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.344 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.95 -39.19 79.65 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.515 ' HB3' HD11 ' B' ' 111' ' ' LEU . 0.0 OUTLIER -68.7 -57.52 5.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.51 ' HA ' HD12 ' B' ' 111' ' ' LEU . 0.6 OUTLIER -51.73 -34.32 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -66.9 -46.75 73.92 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 110.272 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' B' ' 109' ' ' ARG . 3.5 m-70 -123.48 110.51 15.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.557 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' B' ' 108' ' ' HIS . 0.0 OUTLIER 155.96 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.413 ' O ' ' SD ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -123.62 35.13 4.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 108.315 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.547 HD13 HG13 ' B' ' 117' ' ' ILE . 14.0 mt -48.82 164.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.51 ' N ' ' SD ' ' B' ' 112' ' ' MET . 0.0 OUTLIER -172.5 -35.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.507 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.2 OUTLIER -111.9 139.95 46.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -23.76 67.58 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.974 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -29.01 70.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -70.04 -52.47 23.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.328 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.56 HD12 ' H ' ' B' ' 117' ' ' ILE . 3.3 mp -54.57 -48.68 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.764 HG22 ' CZ ' ' B' ' 94' ' ' PHE . 15.7 t -56.47 -48.99 79.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -43.59 68.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.422 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.642 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -56.26 -49.04 75.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.796 HG12 ' NE2' ' B' ' 125' ' ' HIS . 20.6 t -60.56 -41.98 89.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -36.78 84.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.54 1.15 . . . . 0.0 110.257 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.802 ' HA ' ' HB3' ' B' ' 127' ' ' ALA . 0.1 OUTLIER -63.77 -37.4 87.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.322 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CE1' ' HG2' ' B' ' 101' ' ' GLU . 1.0 OUTLIER -65.96 -44.28 85.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 111.04 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.796 ' NE2' HG12 ' B' ' 121' ' ' VAL . 11.3 m170 -58.43 -51.92 67.79 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 109.605 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.19 67.85 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.427 1.079 . . . . 0.0 110.291 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.802 ' HB3' ' HA ' ' B' ' 123' ' ' ASP . . . -159.47 167.32 28.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t -148.89 76.3 1.33 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -148.67 140.59 23.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.593 1.183 . . . . 0.0 109.285 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.62 89.92 0.26 Allowed Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.391 1.057 . . . . 0.0 109.33 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 138.54 23.32 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.467 1.772 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' B' ' 132' ' ' LYS . 9.8 tttt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.303 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.049 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.5 104.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.6 0.823 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -151.08 138.16 19.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -177.71 102.65 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.452 1.095 . . . . 0.0 109.352 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -170.31 168.55 4.15 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 179.56 5.97 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.519 1.8 . . . . 0.0 111.018 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.18 155.69 0.53 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 94.45 0.96 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.468 1.773 . . . . 0.0 111.007 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -151.87 -47.45 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 110.335 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -71.41 -49.38 42.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -66.76 -23.96 66.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.522 1.138 . . . . 0.0 108.346 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.461 ' HG3' ' CZ2' ' A' ' 74' ' ' TRP . 17.8 ttm180 -68.62 -58.52 4.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -65.69 -32.81 74.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.245 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HB3' ' A' ' 52' ' ' PHE . 8.7 t -61.61 -68.79 0.29 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.557 1.161 . . . . 0.0 109.997 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.679 ' CZ ' ' HG3' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -60.77 -24.71 65.98 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.12 . . . . 0.0 111.033 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.542 ' O ' ' CG2' ' B' ' 96' ' ' THR . 0.0 OUTLIER -56.98 -53.46 57.76 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' ARG . 12.3 ptt180 -117.62 51.49 1.04 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.509 1.131 . . . . 0.0 110.354 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -124.95 -21.37 4.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.125 . . . . 0.0 111.012 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 1.032 ' CB ' HG21 ' B' ' 97' ' ' ILE . 2.4 t -39.08 -73.58 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.495 1.122 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.761 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.8 OUTLIER -69.15 81.96 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.626 1.204 . . . . 0.0 111.014 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' TYR . 5.3 tt0 177.22 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 1.1 tm-20 -102.14 -51.37 3.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.417 1.073 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.69 HG11 ' O ' ' A' ' 62' ' ' GLU . 1.5 m -84.36 135.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.245 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 99.9 p -106.77 21.78 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -131.1 174.71 19.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.12 . . . . 0.0 110.996 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.416 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.1 Cg_endo -74.95 -80.39 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 110.958 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.692 ' HA ' HD21 ' A' ' 64' ' ' LEU . 3.2 pt20 -51.52 -18.21 1.04 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.69 ' O ' HG11 ' A' ' 57' ' ' VAL . 16.5 mt-10 -68.9 -16.49 63.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.26 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.483 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . . . -65.91 -71.14 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.768 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.49 -21.4 62.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.451 ' HB2' ' HA ' ' A' ' 62' ' ' GLU . 39.7 m -60.2 -57.79 11.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.15 . . . . 0.0 110.008 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.571 ' HB2' HG11 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -61.2 -41.96 97.75 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 110.225 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.668 HD11 ' HB2' ' A' ' 53' ' ' CYS . 30.2 mt -71.07 -25.77 62.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.367 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.579 ' HG3' HG11 ' B' ' 90' ' ' VAL . 6.1 mtp180 -63.01 -43.72 97.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -74.86 -45.55 42.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -60.45 -42.9 97.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.226 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.821 ' HB3' HD13 ' B' ' 89' ' ' LEU . 18.2 m -63.33 -56.9 12.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 108.295 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.472 ' HA ' ' CD2' ' B' ' 86' ' ' LEU . 2.2 tmm_? -43.29 -40.53 3.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 110.36 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -86.3 -16.55 37.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.332 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.687 ' CE3' HD22 ' B' ' 89' ' ' LEU . 5.9 t90 -63.36 -53.82 46.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 107.987 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.016 ' CD1' HD21 ' B' ' 89' ' ' LEU . 0.4 OUTLIER -97.23 -50.42 4.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.273 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.462 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 33.59 82.91 0.21 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.149 . . . . 0.0 110.262 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.461 ' HD2' ' CD ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -74.93 101.43 1.46 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.15 1.27 15.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.42 1.075 . . . . 0.0 110.22 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.604 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -171.23 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.604 ' N ' HD12 ' A' ' 79' ' ' LEU . 6.6 m170 -83.84 116.22 22.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.563 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.756 HG23 ' H ' ' A' ' 83' ' ' GLU . 8.9 t -60.73 -158.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.364 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 86' ' ' LEU . 11.5 mptt -66.64 -5.13 10.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.756 ' H ' HG23 ' A' ' 81' ' ' THR . 6.7 tt0 -59.59 -48.27 82.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.357 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -62.2 -43.8 98.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.565 1.166 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.893 HG21 ' CG2' ' B' ' 85' ' ' ILE . 4.4 mt -62.38 -47.25 93.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.88 ' O ' HD12 ' A' ' 89' ' ' LEU . 7.7 mp -50.41 -45.81 55.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.382 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.04 -17.88 62.6 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 110.366 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.617 HD11 ' HE1' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -64.0 -61.93 1.95 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.239 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.031 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -63.39 -44.02 95.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 86' ' ' LEU . 76.5 t -52.71 -40.28 33.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.674 ' HE2' HD11 ' A' ' 95' ' ' LEU . 2.6 tpt -70.0 -72.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.153 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.526 ' HA ' HD22 ' A' ' 95' ' ' LEU . 4.8 tt0 -42.56 -29.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.911 ' O ' HG22 ' A' ' 96' ' ' THR . 7.9 tp-100 -73.75 -60.68 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.272 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 1.159 ' CZ ' HD11 ' A' ' 98' ' ' LEU . 19.4 t80 -44.1 -35.54 2.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 110.946 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.751 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -70.92 -45.94 63.35 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.096 . . . . 0.0 109.339 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.911 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.8 t -56.48 -28.12 58.86 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.413 1.071 . . . . 0.0 110.408 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.672 HD11 ' HB1' ' B' ' 63' ' ' ALA . 1.0 OUTLIER -83.76 -37.67 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 1.159 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 12.8 mt -66.8 160.46 68.73 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.401 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -75.04 -160.78 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.437 1.756 . . . . 0.0 110.997 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -83.09 -29.0 29.1 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -43.16 -46.74 6.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.752 HD12 ' N ' ' A' ' 103' ' ' GLN . 1.6 pp -67.31 -41.61 86.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.752 ' N ' HD12 ' A' ' 102' ' ' ILE . 0.4 OUTLIER -54.98 -29.65 57.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.452 1.095 . . . . 0.0 110.255 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.68 -45.77 18.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -13.7 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 110.311 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.753 ' HA ' HD21 ' A' ' 111' ' ' LEU . 40.9 t -90.71 -56.39 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.426 1.079 . . . . 0.0 109.276 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -54.62 -30.19 54.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 110.281 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.492 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 0.1 OUTLIER -62.75 -77.39 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 1.116 . . . . 0.0 109.548 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.492 ' CB ' ' O ' ' A' ' 108' ' ' HIS . 1.2 mtt180 159.47 96.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.552 1.158 . . . . 0.0 110.29 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 10.7 t -178.91 52.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 108.264 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.753 HD21 ' HA ' ' A' ' 106' ' ' VAL . 7.2 mt -108.11 144.27 35.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.497 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 170.02 -54.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.28 133.54 47.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.945 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 83.7 p -62.5 -22.52 66.34 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -62.64 -28.36 69.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.097 . . . . 0.0 109.297 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.497 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 7.5 tp10 -69.32 -56.25 8.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 110.304 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.647 HD12 ' H ' ' A' ' 117' ' ' ILE . 4.4 mp -52.6 -47.33 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.853 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 2.2 t -58.51 -43.45 86.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 109.254 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.18 -42.66 91.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.426 1.079 . . . . 0.0 110.414 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.681 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -57.41 -49.25 76.83 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.402 1.064 . . . . 0.0 109.357 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.629 ' O ' ' CD2' ' A' ' 125' ' ' HIS . 38.6 t -56.88 -40.1 69.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.574 1.171 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -65.22 -39.17 92.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 110.261 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.79 ' HA ' ' HB3' ' A' ' 127' ' ' ALA . 1.7 t0 -59.87 -40.74 89.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.482 1.114 . . . . 0.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -69.11 -37.43 78.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.629 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 17.3 m170 -68.09 -37.15 80.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.08 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 125' ' ' HIS . 0.0 OUTLIER 157.58 72.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.79 ' HB3' ' HA ' ' A' ' 123' ' ' ASP . . . -164.42 147.24 8.98 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.23 86.85 2.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 110.05 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -101.22 -168.8 1.61 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.467 1.104 . . . . 0.0 109.341 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.1 tmtt? -135.09 70.18 69.74 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.415 1.072 . . . . 0.0 109.337 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.468 1.772 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.247 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 45.8 m -155.31 110.13 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 0.756 . . . . 0.0 109.959 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -47.36 113.25 0.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -122.66 -55.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -155.67 96.96 2.36 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.337 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 79.14 2.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.514 1.797 . . . . 0.0 111.084 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -136.39 136.98 23.09 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.461 1.101 . . . . 0.0 109.35 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.6 11.77 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.494 1.786 . . . . 0.0 111.049 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.532 ' CG ' HH21 ' B' ' 46' ' ' ARG . 0.5 OUTLIER -79.09 -34.18 43.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.697 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.4 OUTLIER -76.03 -55.39 5.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.697 ' N ' HD13 ' B' ' 44' ' ' LEU . 1.8 t -53.62 -24.87 15.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 108.288 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.576 ' HG3' ' CZ2' ' B' ' 74' ' ' TRP . 1.7 tmm_? -76.47 -56.67 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.413 ' N ' ' HD2' ' B' ' 46' ' ' ARG . 0.7 OUTLIER -61.36 -12.4 13.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 110.313 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -38.39 10.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.574 1.171 . . . . 0.0 110.031 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.63 ' HB2' HD23 ' B' ' 70' ' ' LEU . 0.0 OUTLIER -66.46 -53.95 29.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.592 ' N ' ' CG ' ' B' ' 49' ' ' PHE . 0.0 OUTLIER -78.3 86.14 4.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.304 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.439 ' O ' ' CG ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER 177.57 35.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.269 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 1.079 ' CE2' HD22 ' B' ' 67' ' ' LEU . 56.0 m-85 -77.5 -52.3 9.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.561 ' O ' ' C ' ' B' ' 54' ' ' TYR . 1.3 m 49.87 69.75 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 0.0 108.302 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.561 ' C ' ' O ' ' B' ' 53' ' ' CYS . 0.1 OUTLIER 23.72 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.98 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.11 -35.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -65.57 -59.81 3.58 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 0.0 110.251 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.645 HG11 ' O ' ' B' ' 62' ' ' GLU . 23.4 m -88.3 -52.19 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.527 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 0.8 OUTLIER 87.56 -17.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.94 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.41 173.68 42.6 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.486 1.116 . . . . 0.0 111.038 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.517 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.2 Cg_endo -74.98 -87.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.516 1.798 . . . . 0.0 110.967 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.588 ' O ' ' CD2' ' B' ' 64' ' ' LEU . 12.0 pt20 -56.89 -12.14 1.81 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.645 ' O ' HG11 ' B' ' 57' ' ' VAL . 1.4 tt0 -74.79 -15.82 60.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 110.296 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -62.19 -72.31 0.13 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.85 ' H ' HD13 ' B' ' 64' ' ' LEU . 0.0 OUTLIER -61.52 -20.69 63.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.474 ' H ' HD22 ' B' ' 64' ' ' LEU . 20.5 t -59.27 -51.28 70.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.448 ' HB3' HD23 ' B' ' 67' ' ' LEU . 0.0 OUTLIER -68.31 -43.2 78.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.564 1.165 . . . . 0.0 110.36 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 1.079 HD22 ' CE2' ' B' ' 52' ' ' PHE . 0.1 OUTLIER -71.26 -21.4 62.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.565 ' N ' ' O ' ' B' ' 64' ' ' LEU . 0.3 OUTLIER -66.57 -50.39 63.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' B' ' 70' ' ' LEU . 10.8 pt20 -70.2 -37.94 75.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.3 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.63 HD23 ' HB2' ' B' ' 49' ' ' PHE . 3.6 mp -66.45 -43.09 86.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.112 . . . . 0.0 109.319 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.887 ' HB3' HD13 ' A' ' 89' ' ' LEU . 31.0 m -58.98 -57.41 13.18 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.481 1.113 . . . . 0.0 108.294 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.477 ' HA ' ' CD2' ' A' ' 86' ' ' LEU . 1.0 OUTLIER -47.22 -37.75 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -84.7 -14.53 48.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.733 ' CE3' HD22 ' A' ' 89' ' ' LEU . 5.1 t90 -68.53 -55.25 12.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 108.013 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.031 HD11 HD21 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -93.13 -53.72 4.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 109.267 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.523 ' O ' ' O ' ' B' ' 75' ' ' LEU . 6.8 pt20 37.19 98.66 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.243 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.465 ' HG3' ' CB ' ' A' ' 82' ' ' LYS . 18.4 Cg_endo -75.01 149.82 37.19 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.522 1.801 . . . . 0.0 110.982 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.617 ' C ' HD13 ' B' ' 79' ' ' LEU . 2.9 mt-10 165.5 -27.53 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.726 ' N ' HD13 ' B' ' 79' ' ' LEU . 0.0 OUTLIER -137.06 19.22 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.531 ' CG ' ' HB2' ' B' ' 84' ' ' GLN . 0.4 OUTLIER -167.6 150.49 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.627 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.566 HG23 ' H ' ' B' ' 83' ' ' GLU . 10.3 t -105.43 -157.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.866 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.7 OUTLIER -58.41 -10.69 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.145 . . . . 0.0 109.266 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.566 ' H ' HG23 ' B' ' 81' ' ' THR . 14.5 mt-10 -62.82 -51.73 65.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.531 ' HB2' ' CG ' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -65.6 -47.03 77.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.284 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.893 ' CG2' HG21 ' A' ' 85' ' ' ILE . 4.3 mt -57.26 -48.25 82.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.866 HD13 ' O ' ' B' ' 82' ' ' LYS . 8.1 mp -53.53 -46.74 70.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.44 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 2.4 mt-10 -69.02 -14.96 63.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.273 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.551 HD11 ' HE1' ' B' ' 74' ' ' TRP . 0.0 OUTLIER -67.87 -63.83 0.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.016 HD21 ' CD1' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -63.52 -37.45 87.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.277 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.827 HG23 ' O ' ' B' ' 86' ' ' LEU . 59.2 t -56.31 -43.54 77.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.464 ' HG3' HD21 ' B' ' 95' ' ' LEU . 2.0 tpt -70.24 -67.4 0.5 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.467 ' HA ' HD22 ' B' ' 95' ' ' LEU . 2.5 tm-20 -34.81 -37.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 110.339 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.679 ' HG3' ' CZ ' ' A' ' 49' ' ' PHE . 21.2 mm-40 -74.12 -57.8 3.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.874 ' CE1' HG23 ' B' ' 118' ' ' VAL . 48.6 t80 -44.75 -24.57 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.024 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.756 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -84.26 -43.72 14.58 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.163 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.6 t -61.59 -39.42 91.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 110.291 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 1.032 HG21 ' CB ' ' A' ' 53' ' ' CYS . 1.0 OUTLIER -68.57 -44.4 82.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.761 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 9.5 mt -65.09 154.18 87.44 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.35 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.52 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.4 Cg_endo -74.99 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.445 1.761 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -79.11 -6.8 57.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.544 1.152 . . . . 0.0 110.349 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -51.55 -50.21 60.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 1.071 . . . . 0.0 110.33 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.842 ' O ' HG23 ' B' ' 106' ' ' VAL . 0.2 OUTLIER -67.45 -31.39 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.512 ' H ' HD13 ' B' ' 102' ' ' ILE . 3.2 tp60 -69.95 -24.32 63.33 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.354 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -80.57 -45.04 18.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.607 ' HG3' HD22 ' B' ' 120' ' ' LEU . 15.1 mmt-85 -68.23 -31.39 70.85 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.842 HG23 ' O ' ' B' ' 102' ' ' ILE . 74.4 t -74.99 -49.05 29.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.256 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 51.0 mtp85 -54.88 -42.43 72.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -104.52 -152.5 0.46 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 109.532 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 46.44 -173.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.589 1.18 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -129.38 -76.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 108.283 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.624 HD23 ' O ' ' B' ' 111' ' ' LEU . 0.7 OUTLIER -77.9 150.31 34.12 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.309 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.507 ' HB3' ' O ' ' B' ' 111' ' ' LEU . 3.9 ptm 164.89 83.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.432 1.082 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.486 ' O ' ' N ' ' B' ' 116' ' ' GLU . 0.2 OUTLIER -66.19 168.04 9.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . . . . . . . . . 28.6 t -45.45 -50.3 12.69 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.539 1.149 . . . . 0.0 110.05 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' B' ' 119' ' ' THR . 0.1 OUTLIER -54.53 -28.96 49.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.4 OUTLIER -71.04 -31.09 67.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.163 . . . . 0.0 110.281 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.532 ' HA ' HD23 ' B' ' 120' ' ' LEU . 1.7 mp -70.1 -58.4 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.874 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -63.26 -22.85 31.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.347 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' B' ' 115' ' ' LYS . 1.1 m -70.27 -50.24 41.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.143 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.607 HD22 ' HG3' ' B' ' 105' ' ' ARG . 0.3 OUTLIER -61.84 -40.3 94.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.504 ' N ' ' HG ' ' B' ' 120' ' ' LEU . 0.4 OUTLIER -76.11 -20.43 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' B' ' 125' ' ' HIS . 0.0 OUTLIER -71.16 -41.18 70.71 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.542 ' O ' ' CA ' ' B' ' 127' ' ' ALA . 33.7 m-20 -82.03 -32.95 30.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -73.35 -38.97 65.56 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.171 . . . . 0.0 110.992 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' B' ' 126' ' ' ARG . 0.0 OUTLIER -99.28 -7.63 26.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.609 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.569 ' HB2' ' CD2' ' B' ' 125' ' ' HIS . 0.1 OUTLIER -160.17 56.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.259 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.571 ' HB1' ' O ' ' B' ' 130' ' ' LYS . . . -45.76 -83.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.2 t 70.53 -60.33 0.5 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 3.4 tmmt? -73.15 -79.99 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.417 1.073 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . 0.571 ' O ' ' HB1' ' B' ' 127' ' ' ALA . 0.0 OUTLIER -74.83 139.77 73.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.344 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 143.71 29.72 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.468 1.773 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.274 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.67 77.36 1.62 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 0.792 . . . . 0.0 110.001 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.62 103.71 16.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.25 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 39' ' ' CYS . 11.9 p30 177.48 179.92 0.25 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.345 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.1 OUTLIER 165.93 -55.78 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 108.279 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.2 Cg_endo -75.03 175.04 11.76 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.435 1.756 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -133.99 142.35 43.08 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.31 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 55.54 3.98 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.466 ' HG2' ' CB ' ' A' ' 46' ' ' ARG . 0.7 OUTLIER 170.33 38.32 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.464 1.103 . . . . 0.0 110.267 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -72.29 -50.3 28.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.408 1.068 . . . . 0.0 109.256 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 49' ' ' PHE . 65.3 m -73.88 -31.72 63.27 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 108.283 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 mpt_? -64.44 -36.11 83.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 51' ' ' ARG . 2.4 tm0? -90.72 -25.17 20.16 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.1 t -70.96 -30.25 66.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.981 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.873 ' CD2' HD23 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -94.07 -46.19 7.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.145 . . . . 0.0 111.011 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.639 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -65.32 -17.55 64.61 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.529 ' CB ' ' O ' ' A' ' 47' ' ' GLN . 0.0 OUTLIER -100.16 30.47 3.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.256 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 66' ' ' GLN . 0.1 OUTLIER -49.98 -74.19 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' C ' ' N ' ' A' ' 55' ' ' GLN . 1.7 t 79.15 38.56 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 108.271 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HD1' HD12 ' B' ' 97' ' ' ILE . 0.3 OUTLIER 42.0 25.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.424 ' N ' ' C ' ' A' ' 53' ' ' CYS . 13.4 tm0? -77.89 -48.49 16.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 57' ' ' VAL . 2.3 mt-10 -76.03 -62.08 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.893 HG22 ' HB3' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -40.27 159.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.33 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -141.98 11.41 2.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 110.032 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -140.18 -173.95 13.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.435 1.084 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.462 ' HA ' ' OH ' ' A' ' 54' ' ' TYR . 18.2 Cg_endo -74.94 -89.34 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.518 1.799 . . . . 0.0 110.975 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -56.99 -17.4 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.419 1.074 . . . . 0.0 110.279 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.893 ' HB3' HG22 ' A' ' 57' ' ' VAL . 6.4 mm-40 -53.26 -24.47 11.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.254 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.959 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.97 -54.8 41.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.828 HD23 HG12 ' B' ' 90' ' ' VAL . 2.2 mp -69.01 -21.95 64.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.57 1.169 . . . . 0.0 109.326 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 62' ' ' GLU . 8.3 t -58.05 -60.81 3.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.017 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -67.43 -46.55 72.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.886 HD11 HG21 ' B' ' 97' ' ' ILE . 13.0 mt -57.82 -47.84 81.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.68 ' HA ' HG22 ' B' ' 90' ' ' VAL . 8.7 ttp180 -55.79 -35.3 66.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.05 -53.0 62.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -69.51 -35.98 76.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.452 1.095 . . . . 0.0 109.283 -179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.759 ' HB3' HD13 ' B' ' 89' ' ' LEU . 55.7 m -57.93 -61.25 2.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 108.228 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.601 ' HB2' HD21 ' B' ' 86' ' ' LEU . 3.7 tmt_? -55.33 -27.11 44.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.416 ' O ' ' CD ' ' A' ' 76' ' ' GLN . 2.2 tt0 -80.99 -20.39 41.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.827 ' CE3' HD22 ' B' ' 89' ' ' LEU . 1.7 t90 -70.45 -56.86 5.6 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.071 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.2 OUTLIER -94.46 -53.8 3.77 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.564 1.165 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.548 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 0.3 OUTLIER 45.16 63.89 8.5 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.452 ' HG2' ' CB ' ' B' ' 82' ' ' LYS . 18.4 Cg_endo -75.05 155.48 42.7 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.548 1.815 . . . . 0.0 111.04 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.47 0.03 9.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.544 HD12 ' N ' ' A' ' 80' ' ' HIS . 4.6 pp -175.85 -37.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.254 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.544 ' N ' HD12 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -32.38 109.71 0.07 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 109.584 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.574 HG23 ' N ' ' A' ' 82' ' ' LYS . 5.4 t -70.14 -158.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.394 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.574 ' N ' HG23 ' A' ' 81' ' ' THR . 3.9 pttt -45.04 -23.13 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 109.349 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.47 ' N ' ' C ' ' A' ' 81' ' ' THR . 5.9 mt-10 -42.44 -47.7 5.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.242 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.596 ' OE1' HD22 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -68.48 -35.73 77.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 110.298 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 1.099 ' CG2' HD13 ' B' ' 75' ' ' LEU . 1.8 mt -64.3 -61.64 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.395 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.713 ' O ' HG23 ' A' ' 90' ' ' VAL . 2.7 mp -47.5 -51.87 19.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.301 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 91' ' ' MET . 2.6 tt0 -53.75 -37.47 63.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.518 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.1 OUTLIER -54.11 -64.76 0.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.578 1.173 . . . . 0.0 109.315 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.936 HD13 ' HB3' ' B' ' 71' ' ' CYS . 0.0 OUTLIER -65.39 -49.32 69.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.13 . . . . 0.0 109.234 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.938 HG12 HD23 ' B' ' 64' ' ' LEU . 71.5 t -50.24 -32.94 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.253 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.951 ' C ' HD22 ' A' ' 95' ' ' LEU . 8.7 mmt -70.98 -71.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 111.059 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.417 ' N ' HD22 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -44.01 -32.35 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 1.028 ' O ' HG23 ' A' ' 97' ' ' ILE . 32.5 tp60 -80.87 -60.13 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.839 ' CE1' HG23 ' A' ' 118' ' ' VAL . 75.2 t80 -51.83 -18.63 1.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.951 HD22 ' C ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -89.71 -42.5 11.3 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.572 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.2 t -66.76 -30.32 70.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.408 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 1.028 HG23 ' O ' ' A' ' 93' ' ' GLN . 1.5 pt -68.3 -43.69 84.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.615 HD22 HG21 ' A' ' 121' ' ' VAL . 4.5 mt -82.62 159.2 64.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.504 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.2 Cg_endo -75.02 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.496 1.787 . . . . 0.0 110.971 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.07 -6.47 59.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.488 ' HG2' ' CD2' ' A' ' 124' ' ' PHE . 3.9 tp10 -51.13 -52.41 44.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.319 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.73 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -65.56 -36.28 77.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 0.0 109.353 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.603 ' H ' HD13 ' A' ' 102' ' ' ILE . 1.5 mt-30 -63.72 -24.4 67.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 110.266 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.7 -47.63 12.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.11 . . . . 0.0 109.251 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.16 -22.48 64.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.574 1.171 . . . . 0.0 110.275 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -85.62 -43.11 16.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -58.91 -43.69 91.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.434 ' O ' ' CB ' ' A' ' 109' ' ' ARG . 7.9 t-80 -60.21 -68.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.624 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.503 ' O ' ' CB ' ' A' ' 110' ' ' CYS . 0.8 OUTLIER 163.34 179.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.317 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 109' ' ' ARG . 0.5 OUTLIER 87.6 27.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.556 1.16 . . . . 0.0 108.396 -179.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 112' ' ' MET . 1.0 OUTLIER -98.4 162.59 13.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.299 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.47 ' CE ' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER 167.12 -47.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.14 . . . . 0.0 111.018 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.425 ' HB2' ' SD ' ' A' ' 112' ' ' MET . 0.1 OUTLIER -128.75 141.91 51.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 110.012 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.737 ' HA ' HD13 ' A' ' 117' ' ' ILE . 92.8 p -63.17 -16.1 59.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -63.14 -48.45 78.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.47 ' HB2' ' CE ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -57.51 -32.07 66.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.444 1.09 . . . . 0.0 110.233 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.737 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.7 mp -68.1 -65.89 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.839 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -49.18 -26.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.27 -49.03 53.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.73 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.2 OUTLIER -59.23 -40.48 86.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.77 HG13 ' CE1' ' A' ' 125' ' ' HIS . 1.2 t -62.61 -42.8 97.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.403 ' OE1' ' CD ' ' A' ' 131' ' ' PRO . 2.7 tt0 -67.14 -36.05 81.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.26 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 93.1 m-20 -68.93 -40.15 79.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.488 ' CD2' ' HG2' ' A' ' 101' ' ' GLU . 1.5 t80 -70.02 -53.47 17.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.77 ' CE1' HG13 ' A' ' 121' ' ' VAL . 14.1 m170 -52.77 -41.27 63.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.613 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.475 ' O ' ' O ' ' A' ' 127' ' ' ALA . 0.0 OUTLIER 164.33 76.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.759 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -47.39 178.32 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.555 1.159 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.98 -34.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -121.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.556 1.16 . . . . 0.0 109.292 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -151.99 101.51 2.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.403 ' CD ' ' OE1' ' A' ' 122' ' ' GLU . 18.0 Cg_endo -75.1 161.66 38.14 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.496 1.788 . . . . 0.0 110.943 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.335 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . 0.444 ' O ' ' CB ' ' B' ' 36' ' ' SER . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' B' ' 35' ' ' GLY . 0.5 OUTLIER 163.74 166.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 0.821 . . . . 0.0 110.041 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 10.6 mttt 65.42 49.07 1.94 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.514 1.134 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 174.73 57.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.497 1.123 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 57.1 m 42.8 68.91 2.52 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 108.323 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 101.63 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.437 1.756 . . . . 0.0 110.989 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' B' ' 42' ' ' PRO . 0.6 OUTLIER -153.7 63.54 4.47 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' B' ' 41' ' ' ASP . 18.3 Cg_endo -75.1 -33.3 4.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.546 1.814 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.424 ' CB ' ' O ' ' B' ' 42' ' ' PRO . 1.2 tt0 81.07 2.37 1.65 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -73.26 -52.4 14.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.318 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.416 ' HA ' ' OG ' ' B' ' 48' ' ' SER . 22.4 m -66.6 -32.15 73.3 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.516 1.135 . . . . 0.0 108.288 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.441 ' CG ' ' HB2' ' B' ' 51' ' ' ARG . 20.4 ttm180 -66.63 -39.23 88.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.425 1.078 . . . . 0.0 110.316 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -75.08 -57.6 3.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.416 ' OG ' ' HA ' ' B' ' 45' ' ' CYS . 2.9 p -41.78 -54.49 3.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.14 . . . . 0.0 109.991 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.623 ' O ' ' CB ' ' B' ' 50' ' ' ARG . 31.4 m-85 -85.31 -69.77 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.624 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.1 OUTLIER 147.78 -16.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.624 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 50.6 ttt-85 95.67 72.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.324 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.575 ' CZ ' ' HA ' ' B' ' 54' ' ' TYR . 6.4 t80 -60.12 -50.98 71.56 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.443 1.089 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.444 ' SG ' ' O ' ' B' ' 52' ' ' PHE . 6.2 p 39.66 64.13 0.9 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.603 ' CE2' ' O ' ' B' ' 58' ' ' SER . 0.5 OUTLIER 37.66 33.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 111.075 -179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' B' ' 52' ' ' PHE . 1.1 tp-100 -110.38 73.32 0.83 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 110.293 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 178.37 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' B' ' 58' ' ' SER . 13.0 m -97.83 -45.65 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.56 1.163 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.603 ' O ' ' CE2' ' B' ' 54' ' ' TYR . 0.3 OUTLIER 86.26 -39.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.994 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -53.24 174.25 0.34 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.572 1.17 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.444 ' HA ' ' OH ' ' B' ' 54' ' ' TYR . 18.1 Cg_endo -74.98 -90.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.817 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -52.5 -26.18 12.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' C ' HG21 ' B' ' 57' ' ' VAL . 1.5 mt-10 -56.4 -29.15 61.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.672 ' HB1' ' CD1' ' A' ' 97' ' ' ILE . . . -56.99 -54.57 45.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.938 HD23 HG12 ' A' ' 90' ' ' VAL . 1.6 mp -66.41 -24.9 66.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.092 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.6 t -56.71 -60.17 3.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -64.21 -51.6 62.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.87 HD11 HG21 ' A' ' 97' ' ' ILE . 80.7 mt -54.86 -60.68 3.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.616 ' HA ' HG22 ' A' ' 90' ' ' VAL . 2.7 ttt180 -40.87 -41.98 1.72 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.548 1.155 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -59.64 -40.77 88.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.286 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' B' ' 67' ' ' LEU . 7.3 mp -78.77 -34.15 45.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.936 ' HB3' HD13 ' A' ' 89' ' ' LEU . 4.1 m -61.4 -61.46 2.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 108.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.473 ' O ' ' CB ' ' B' ' 76' ' ' GLN . 7.9 ptm180 -57.65 -36.11 71.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.408 ' C ' ' HG2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -76.58 -12.55 60.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.314 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.677 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 1.2 t90 -79.2 -54.57 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.099 HD13 ' CG2' ' A' ' 85' ' ' ILE . 0.2 OUTLIER -91.09 -59.64 2.11 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.473 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 1.1 pt20 36.03 62.4 2.75 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.322 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.497 ' CB ' ' CD ' ' B' ' 84' ' ' GLN . 18.2 Cg_endo -74.94 -173.33 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.806 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.418 ' C ' HD12 ' B' ' 79' ' ' LEU . 2.8 mm-40 -115.69 -25.11 7.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.282 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.678 ' O ' ' C ' ' B' ' 80' ' ' HIS . 6.7 mp -105.75 4.92 30.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.678 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.8 OUTLIER 12.7 63.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.578 1.173 . . . . 0.0 109.629 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.637 HG23 ' HB3' ' B' ' 83' ' ' GLU . 3.3 t -110.85 174.59 5.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.417 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.452 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 0.1 OUTLIER -56.31 -17.34 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.637 ' HB3' HG23 ' B' ' 81' ' ' THR . 24.4 tt0 -52.73 -54.06 39.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.497 ' CD ' ' CB ' ' B' ' 77' ' ' PRO . 4.6 mp0 -64.1 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.286 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 1.071 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.3 OUTLIER -56.48 -59.01 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.572 1.17 . . . . 0.0 109.238 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.887 HD12 HG22 ' B' ' 85' ' ' ILE . 4.7 mp -55.83 -65.6 0.57 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.555 ' O ' ' CG ' ' B' ' 91' ' ' MET . 1.0 OUTLIER -39.31 -32.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.255 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.562 ' CD1' HD21 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.04 -70.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.976 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -64.71 -42.36 95.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.41 1.069 . . . . 0.0 109.33 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.828 HG12 HD23 ' A' ' 64' ' ' LEU . 85.5 t -54.78 -33.47 28.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.345 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.854 ' O ' HD22 ' B' ' 95' ' ' LEU . 0.9 OUTLIER -71.46 -71.09 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.055 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -41.25 -38.25 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.781 ' HB3' HD22 ' A' ' 67' ' ' LEU . 8.5 mp0 -76.61 -60.75 2.21 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 110.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.947 ' CZ ' HG23 ' B' ' 118' ' ' VAL . 36.2 t80 -45.66 -22.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 110.962 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.854 HD22 ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -87.45 -40.74 14.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 109.27 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.586 HG22 ' O ' ' B' ' 93' ' ' GLN . 2.4 t -66.04 -23.24 66.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.493 1.121 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.959 HD11 ' HB1' ' A' ' 63' ' ' ALA . 4.2 pt -82.56 -40.31 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.82 HD22 HG21 ' B' ' 121' ' ' VAL . 5.8 mt -74.92 150.44 86.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.61 ' HD2' HD13 ' B' ' 102' ' ' ILE . 18.0 Cg_endo -75.11 -158.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.461 1.769 . . . . 0.0 110.927 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.498 ' O ' ' N ' ' B' ' 103' ' ' GLN . 1.4 pm0 -70.32 -34.82 73.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 110.348 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -38.66 -35.74 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.228 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 117' ' ' ILE . 1.5 mp -80.64 -44.66 21.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' B' ' 107' ' ' ARG . 0.2 OUTLIER -61.46 -19.8 62.42 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.556 1.16 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -88.13 -51.41 5.8 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.247 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . 0.859 ' CB ' HD22 ' B' ' 120' ' ' LEU . 5.5 tpt180 -61.47 -19.44 62.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.426 1.079 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.557 HG22 ' SD ' ' B' ' 112' ' ' MET . 0.3 OUTLIER -98.43 -36.88 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.342 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.503 ' CG ' ' O ' ' B' ' 103' ' ' GLN . 11.6 mtt180 -55.84 -41.55 74.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 110.235 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m170 -52.28 177.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.624 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 1.1 mtm180 -125.07 105.79 9.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 110.289 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 174.09 -90.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 108.284 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.727 HD12 ' HG2' ' B' ' 116' ' ' GLU . 0.8 OUTLIER -82.33 161.71 22.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.646 ' CE ' HD11 ' B' ' 117' ' ' ILE . 7.3 tpt -177.09 69.39 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 0.0 111.01 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' B' ' 116' ' ' GLU . 0.3 OUTLIER -128.87 137.4 51.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.966 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.707 ' HA ' HD12 ' B' ' 117' ' ' ILE . 60.7 m -44.54 -59.54 2.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 110.02 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -55.81 -22.67 25.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.727 ' HG2' HD12 ' B' ' 111' ' ' LEU . 0.2 OUTLIER -71.55 -47.54 54.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.076 . . . . 0.0 110.301 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.999 HG23 HG23 ' B' ' 102' ' ' ILE . 2.5 mp -58.53 -53.88 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.947 HG23 ' CZ ' ' B' ' 94' ' ' PHE . 1.8 t -56.85 -37.43 53.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -46.89 83.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.092 . . . . 0.0 110.367 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.859 HD22 ' CB ' ' B' ' 105' ' ' ARG . 0.2 OUTLIER -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.82 HG21 HD22 ' B' ' 98' ' ' LEU . 66.5 t -55.75 -38.67 52.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' B' ' 127' ' ' ALA . 28.7 tt0 -76.38 -24.62 54.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.462 1.101 . . . . 0.0 110.256 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' B' ' 127' ' ' ALA . 8.8 t70 -73.37 -32.76 64.69 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' B' ' 124' ' ' PHE . 5.0 t80 -94.51 -15.56 24.07 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.542 ' CG ' ' O ' ' B' ' 121' ' ' VAL . 20.8 m170 -94.65 -19.64 20.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.16 . . . . 0.0 109.585 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' B' ' 125' ' ' HIS . 3.2 ttt180 176.19 45.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . 0.432 ' HA ' ' HA ' ' B' ' 123' ' ' ASP . . . 39.19 -144.9 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 109.361 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.6 t 76.83 55.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.016 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.0 tttt -93.39 139.14 31.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.84 147.03 38.22 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 162.48 37.06 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.0 167.43 22.38 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.509 0.77 . . . . 0.0 110.04 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 56.63 0.89 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -175.26 119.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -175.48 109.42 0.26 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 108.336 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 160.59 39.98 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.491 1.785 . . . . 0.0 111.0 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 44' ' ' LEU . 0.0 OUTLIER -121.54 166.01 17.82 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -26.27 10.97 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -89.73 10.37 23.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.427 1.08 . . . . 0.0 110.267 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.637 HD13 ' C ' ' A' ' 44' ' ' LEU . 0.7 OUTLIER -76.02 -45.67 33.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.434 ' N ' HD13 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -75.1 -30.62 60.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 108.308 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.486 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 26.9 ttm180 -67.9 -44.35 77.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.14 -29.03 42.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.4 -52.71 62.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.979 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.638 ' CE2' ' SG ' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -77.27 -43.41 33.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 110.969 -179.945 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.59 ' N ' ' CD1' ' A' ' 49' ' ' PHE . 0.0 OUTLIER -50.8 -34.78 28.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.293 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.49 34.91 2.08 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' HB2' HD21 ' A' ' 67' ' ' LEU . 28.0 t80 -38.58 -56.45 1.3 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 52' ' ' PHE . 3.4 t 86.15 105.51 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.677 ' HD1' HD12 ' B' ' 97' ' ' ILE . 4.8 t80 -51.3 95.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.69 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.272 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HB2' ' CZ ' ' A' ' 52' ' ' PHE . 2.5 mm-40 -41.58 -65.74 0.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.27 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.492 HG21 ' C ' ' A' ' 62' ' ' GLU . 30.4 m -85.6 142.99 12.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.22 12.69 28.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -123.18 170.42 15.58 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.504 1.127 . . . . 0.0 110.969 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 -81.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.5 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -48.82 -23.65 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.246 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' C ' HG21 ' A' ' 57' ' ' VAL . 39.2 mt-10 -55.28 -25.24 32.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.724 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -59.93 -54.23 48.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD11 ' CE1' ' B' ' 94' ' ' PHE . 4.0 mp -66.82 -24.44 66.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.6 t -57.69 -60.27 3.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 109.988 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.589 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 tm0? -61.98 -49.8 74.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.414 1.071 . . . . 0.0 110.227 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.65 HD21 ' HB2' ' A' ' 52' ' ' PHE . 44.0 mt -58.93 -65.82 0.6 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.713 ' HA ' HG22 ' B' ' 90' ' ' VAL . 0.0 OUTLIER -37.31 -33.31 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 110.271 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.43 ' N ' ' O ' ' A' ' 67' ' ' LEU . 19.8 tt0 -68.19 -54.26 19.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.325 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -68.53 -29.05 67.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.638 ' SG ' ' CE2' ' A' ' 49' ' ' PHE . 1.7 m -63.25 -65.1 0.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 108.364 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.832 ' HB2' HD21 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -51.4 -32.24 25.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 1.146 . . . . 0.0 110.325 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.484 ' HA ' ' OE1' ' A' ' 76' ' ' GLN . 1.2 tt0 -80.93 -16.25 54.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.308 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.795 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.5 OUTLIER -73.94 -55.94 5.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 108.011 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.069 ' CD2' HD11 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -87.3 -59.58 2.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 0.0 109.282 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' N ' ' HD3' ' A' ' 77' ' ' PRO . 2.7 pt20 36.75 55.79 3.23 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.572 ' HD3' ' N ' ' A' ' 76' ' ' GLN . 18.3 Cg_endo -74.98 -175.53 2.41 Favored 'Trans proline' 0 C--N 1.359 1.086 0 O-C-N 124.534 1.808 . . . . 0.0 111.004 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.445 ' C ' HD12 ' A' ' 79' ' ' LEU . 0.5 OUTLIER -119.28 -16.26 9.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 0.0 110.308 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.651 ' O ' ' C ' ' A' ' 80' ' ' HIS . 6.7 mp -110.9 -5.18 14.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.698 ' CG ' ' HG1' ' B' ' 81' ' ' THR . 0.8 OUTLIER 15.58 56.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.565 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.61 ' N ' ' O ' ' A' ' 79' ' ' LEU . 9.2 t -103.86 158.08 16.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -41.84 -28.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.56 ' CB ' HG23 ' A' ' 81' ' ' THR . 33.3 tt0 -49.74 -52.83 28.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.342 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.833 ' O ' HD13 ' A' ' 88' ' ' LEU . 1.7 tp60 -64.11 -33.74 76.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.536 1.147 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.938 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.5 OUTLIER -61.0 -49.93 82.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.239 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -59.57 -66.14 0.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.612 1.195 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 91' ' ' MET . 0.6 OUTLIER -39.14 -37.09 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 1.069 HD11 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -55.45 -67.26 0.3 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.571 1.169 . . . . 0.0 109.255 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.954 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -62.73 -52.94 61.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.538 ' CG2' ' HA ' ' B' ' 68' ' ' ARG . 57.9 t -45.66 -39.0 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.772 ' O ' HD22 ' A' ' 95' ' ' LEU . 2.4 mmt -67.01 -72.11 0.18 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.43 ' O ' ' HB ' ' A' ' 96' ' ' THR . 5.1 pt-20 -44.72 -28.62 0.64 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.558 1.161 . . . . 0.0 110.292 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.686 ' HB3' HD13 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -77.98 -66.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.246 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.948 ' CZ ' HG23 ' A' ' 118' ' ' VAL . 37.2 t80 -43.28 -30.84 0.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.007 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.772 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -77.95 -43.63 29.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 93' ' ' GLN . 1.7 t -64.99 -32.44 74.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 110.381 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.729 HG21 ' CD2' ' B' ' 52' ' ' PHE . 2.1 pp -83.36 -38.08 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.261 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD11 ' CZ ' ' A' ' 94' ' ' PHE . 0.3 OUTLIER -57.43 163.03 3.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.304 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.405 ' O ' HG13 ' A' ' 102' ' ' ILE . 18.4 Cg_endo -74.92 -163.12 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.547 1.814 . . . . 0.0 111.026 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.488 ' O ' ' N ' ' A' ' 103' ' ' GLN . 8.7 mt-10 -87.48 -31.19 20.11 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.271 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -44.62 -31.96 1.31 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.567 1.167 . . . . 0.0 110.263 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.764 HG21 ' CD1' ' A' ' 98' ' ' LEU . 2.4 pp -69.02 -41.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.348 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 100' ' ' GLU . 0.9 OUTLIER -67.84 -29.87 69.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.24 68.1 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -30.03 69.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.4 t -67.05 -53.32 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.13 -48.64 77.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 110.325 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -59.63 -101.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.55 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -48.11 175.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.432 1.083 . . . . 0.0 110.33 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.5 p -118.48 -59.17 1.91 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.562 1.164 . . . . 0.0 108.38 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 1.049 HD23 ' O ' ' A' ' 111' ' ' LEU . 0.3 OUTLIER -76.03 136.07 39.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.273 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.552 ' CE ' HG13 ' A' ' 117' ' ' ILE . 2.7 ptm 160.4 86.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.514 ' O ' HD12 ' A' ' 117' ' ' ILE . 0.6 OUTLIER -65.88 173.51 2.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.931 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.472 ' HA ' HD13 ' A' ' 117' ' ' ILE . 62.5 p -45.68 -52.02 11.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.4 -30.83 13.32 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.558 1.161 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -70.81 -42.9 69.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.622 ' HA ' HD23 ' A' ' 120' ' ' LEU . 2.4 mp -57.92 -55.49 21.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.345 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.948 HG23 ' CZ ' ' A' ' 94' ' ' PHE . 1.4 t -54.86 -42.15 61.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -45.7 90.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 110.423 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.702 HD21 HG22 ' A' ' 102' ' ' ILE . 0.2 OUTLIER -55.59 -48.05 75.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.23 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.805 HG21 HD13 ' A' ' 98' ' ' LEU . 81.5 t -61.59 -43.82 97.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 127' ' ' ALA . 33.7 tt0 -63.84 -26.77 68.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.29 -54.9 10.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -55.47 -40.03 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.64 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 14.0 m170 -62.39 -52.96 61.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.44 1.088 . . . . 0.0 109.628 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 167.84 39.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 122' ' ' GLU . . . 35.49 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 23.4 m -86.31 56.63 4.07 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.447 1.092 . . . . 0.0 110.057 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 7.8 mmpt? -120.88 40.39 3.56 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.51 1.131 . . . . 0.0 109.361 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.37 96.07 0.3 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 117.44 4.91 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.526 1.803 . . . . 0.0 110.951 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.408 1.067 . . . . 0.0 109.22 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -136.68 56.04 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -146.71 127.17 14.06 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -160.69 -45.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 31.2 p -47.45 113.29 2.45 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.628 1.205 . . . . 0.0 108.329 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 162.69 36.78 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.496 1.787 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -140.62 145.38 40.1 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -0.54 10.1 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.457 1.767 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.761 ' OE1' HD11 ' B' ' 111' ' ' LEU . 6.9 pm0 -141.62 45.06 1.72 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.732 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.6 OUTLIER -81.48 -59.33 2.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.305 -179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.732 ' N ' HD13 ' B' ' 44' ' ' LEU . 31.6 p -51.47 -29.83 17.75 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.599 1.187 . . . . 0.0 108.309 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.56 ' HD3' ' CD1' ' B' ' 74' ' ' TRP . 36.0 mtt180 -77.98 -49.01 14.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.273 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -65.93 -11.44 47.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 28.6 t -91.96 -62.84 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.085 . . . . 0.0 110.007 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.552 ' CZ ' ' HG2' ' A' ' 93' ' ' GLN . 0.0 OUTLIER -53.33 -30.29 38.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -58.0 89.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 110.379 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.601 ' HG3' HG23 ' A' ' 96' ' ' THR . 6.1 ttt180 87.93 64.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.817 ' HD2' HD21 ' B' ' 67' ' ' LEU . 2.3 p90 -72.73 -21.98 60.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 111.031 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.663 ' O ' ' CE1' ' B' ' 52' ' ' PHE . 1.7 t 79.68 116.33 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 108.29 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.541 ' HA ' ' CZ ' ' B' ' 52' ' ' PHE . 18.2 t80 -43.58 -22.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' B' ' 54' ' ' TYR . 16.1 mt-30 -34.64 -34.67 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 110.347 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.473 ' N ' ' O ' ' B' ' 54' ' ' TYR . 3.8 mp0 -80.04 -82.89 0.11 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.474 1.109 . . . . 0.0 110.268 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.687 HG21 ' O ' ' B' ' 62' ' ' GLU . 0.9 OUTLIER -42.91 134.53 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 4.6 t -116.82 5.96 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.953 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -121.7 173.96 15.88 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.469 1.106 . . . . 0.0 111.047 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.645 ' HB2' HG13 ' A' ' 118' ' ' VAL . 18.5 Cg_endo -74.91 -78.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.53 1.806 . . . . 0.0 110.991 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.994 ' HA ' HD21 ' B' ' 64' ' ' LEU . 2.6 tm0? -64.2 -7.68 9.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.16 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.687 ' O ' HG21 ' B' ' 57' ' ' VAL . 24.7 tt0 -72.03 -25.83 61.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.227 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.629 ' HA ' HG21 ' B' ' 57' ' ' VAL . . . -63.54 -68.24 0.36 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.994 HD21 ' HA ' ' B' ' 61' ' ' GLN . 0.0 OUTLIER -61.94 -21.65 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.578 1.174 . . . . 0.0 109.373 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' B' ' 61' ' ' GLN . 16.6 t -59.7 -64.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.067 . . . . 0.0 109.938 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.622 ' O ' HD23 ' B' ' 70' ' ' LEU . 1.2 tt0 -58.79 -36.2 74.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 0.0 110.317 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.817 HD21 ' HD2' ' B' ' 52' ' ' PHE . 43.2 mt -71.12 -28.96 64.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.538 ' HA ' ' CG2' ' A' ' 90' ' ' VAL . 3.1 ttp180 -63.24 -45.96 89.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.252 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -69.27 -44.04 72.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.33 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 66' ' ' GLN . 4.3 mm? -60.4 -59.36 5.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.792 ' HB2' HD13 ' A' ' 89' ' ' LEU . 1.1 p -55.33 -44.85 76.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 108.34 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.547 ' N ' ' SG ' ' B' ' 71' ' ' CYS . 1.1 ttt180 -48.12 -39.28 19.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.19 -18.42 36.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.653 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.2 t90 -61.79 -54.13 46.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 108.037 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.993 ' CD2' HD11 ' B' ' 88' ' ' LEU . 0.1 OUTLIER -101.59 -51.57 3.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' B' ' 72' ' ' ARG . 0.3 OUTLIER 33.29 61.43 1.63 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.542 ' O ' ' CB ' ' B' ' 78' ' ' GLU . 18.1 Cg_endo -75.01 -95.01 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.981 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.659 ' C ' HD22 ' B' ' 79' ' ' LEU . 1.5 mt-10 156.85 69.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.395 1.059 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.659 HD22 ' C ' ' B' ' 78' ' ' GLU . 1.5 mm? 75.9 9.82 3.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.105 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.457 ' ND1' ' HB3' ' B' ' 77' ' ' PRO . 0.1 OUTLIER -38.31 121.44 0.99 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.583 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.726 HG23 ' H ' ' B' ' 83' ' ' GLU . 7.3 t -61.01 -159.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 110.364 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.526 ' O ' HD13 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -62.61 -8.23 6.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 109.356 179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.726 ' H ' HG23 ' B' ' 81' ' ' THR . 45.5 mt-10 -58.09 -52.74 64.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.481 ' HB3' HD11 ' A' ' 85' ' ' ILE . 4.9 tp-100 -72.31 -45.88 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 110.306 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.955 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -49.81 -46.55 22.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.41 1.069 . . . . 0.0 109.344 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.832 HD21 ' HB2' ' A' ' 72' ' ' ARG . 4.3 mp -65.28 -68.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.093 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.563 ' O ' ' CG ' ' B' ' 91' ' ' MET . 0.1 OUTLIER -39.02 -31.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.341 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.993 HD11 ' CD2' ' B' ' 75' ' ' LEU . 0.0 OUTLIER -60.45 -72.73 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.326 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -67.93 -37.21 81.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.381 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 68' ' ' ARG . 54.5 t -56.68 -37.51 53.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.354 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.683 ' O ' ' CD2' ' B' ' 95' ' ' LEU . 0.3 OUTLIER -73.79 -75.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' B' ' 91' ' ' MET . 0.5 OUTLIER -37.62 -31.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.668 ' OE1' HG21 ' B' ' 96' ' ' THR . 18.7 mm-40 -85.98 -54.99 4.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 110.27 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.902 ' CE1' HG23 ' B' ' 118' ' ' VAL . 12.6 t80 -44.34 -22.92 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 1.141 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.683 ' CD2' ' O ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -94.66 -46.86 6.76 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.102 . . . . 0.0 109.299 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.668 HG21 ' OE1' ' B' ' 93' ' ' GLN . 1.5 t -48.92 -28.46 3.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.387 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.724 HD11 ' HB1' ' A' ' 63' ' ' ALA . 3.5 pt -77.94 -33.56 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.774 HD22 HG11 ' B' ' 121' ' ' VAL . 5.9 mt -79.93 164.39 53.2 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.128 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.453 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.2 Cg_endo -75.02 -163.48 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.492 1.785 . . . . 0.0 110.907 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -77.3 -17.7 58.12 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.51 1.132 . . . . 0.0 110.341 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -44.16 -50.71 8.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.279 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.73 HD12 ' N ' ' B' ' 103' ' ' GLN . 2.1 pp -67.54 -37.46 78.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.73 ' N ' HD12 ' B' ' 102' ' ' ILE . 2.0 tt0 -61.71 -23.68 66.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.335 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -83.05 -52.6 6.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.244 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 3.2 ttt180 -65.15 -19.51 66.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.678 ' O ' HD13 ' B' ' 111' ' ' LEU . 13.3 t -92.51 -39.12 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 109.219 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 3.3 mtp-105 -57.01 -45.04 83.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.416 ' CD2' ' C ' ' B' ' 108' ' ' HIS . 2.5 t-160 -179.29 117.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.53 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 -60.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 110.244 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 171.27 54.61 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 0.0 108.321 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.761 HD11 ' OE1' ' B' ' 43' ' ' GLU . 1.1 pt? -81.14 163.38 23.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.491 ' CE ' ' HB2' ' B' ' 116' ' ' GLU . 0.0 OUTLIER -176.44 -70.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -113.06 139.46 48.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.145 . . . . 0.0 110.025 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.787 ' HA ' HD13 ' B' ' 117' ' ' ILE . 77.5 p -56.69 -17.35 8.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.952 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -59.9 -48.08 83.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' CE ' ' B' ' 112' ' ' MET . 0.6 OUTLIER -65.01 -30.77 71.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.787 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.2 mp -61.32 -62.15 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.902 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -57.35 -28.85 31.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.16 -43.51 86.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.383 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.53 ' HG ' ' N ' ' B' ' 121' ' ' VAL . 0.2 OUTLIER -64.21 -49.42 72.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.774 HG11 HD22 ' B' ' 98' ' ' LEU . 55.4 t -62.48 -27.01 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . 0.608 ' O ' ' CB ' ' B' ' 126' ' ' ARG . 36.0 tt0 -69.26 -63.9 0.98 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.23 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -65.35 -10.0 29.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' B' ' 121' ' ' VAL . 26.7 t80 -78.12 -71.03 0.45 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.088 . . . . 0.0 111.001 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 0.5 OUTLIER -74.32 -7.75 53.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.665 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . 0.608 ' CB ' ' O ' ' B' ' 122' ' ' GLU . 27.1 ttt180 -108.95 -62.76 1.43 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.494 1.121 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 58.53 158.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 173.57 42.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.01 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -167.57 168.46 12.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.02 147.07 17.33 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 106.01 2.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.443 1.759 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.0 p -165.54 -57.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 109.96 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 63.14 128.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.554 1.159 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 175.1 162.7 0.24 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.222 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -56.56 110.69 2.54 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.494 1.121 . . . . 0.0 108.283 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 178.71 6.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -156.94 71.62 4.67 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.567 1.167 . . . . 0.0 109.294 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -178.1 3.91 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -79.08 -2.49 40.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.279 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.511 HD13 ' C ' ' A' ' 44' ' ' LEU . 1.3 tm? -75.28 -55.63 5.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.573 1.171 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.488 ' N ' HD13 ' A' ' 44' ' ' LEU . 11.6 m -59.08 -31.06 68.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 108.283 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.572 ' HD3' ' CZ2' ' A' ' 74' ' ' TRP . 6.6 mtt-85 -65.38 -56.99 9.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.29 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.453 ' O ' ' HG2' ' A' ' 50' ' ' ARG . 51.0 tt0 -66.33 -18.9 65.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CB ' ' A' ' 52' ' ' PHE . 9.9 t -74.12 -44.42 53.9 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.743 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -78.96 -30.06 44.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 110.985 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.508 ' O ' ' CG2' ' B' ' 96' ' ' THR . 11.2 ptt180 -67.13 -39.72 86.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.133 . . . . 0.0 110.275 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.466 ' N ' ' CG ' ' A' ' 50' ' ' ARG . 0.1 OUTLIER -110.2 42.22 1.59 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.585 ' C ' ' CD1' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -126.52 -26.76 3.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.972 ' CB ' HG21 ' B' ' 97' ' ' ILE . 7.6 t -39.3 -79.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 108.262 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.763 ' CE1' ' CD2' ' B' ' 98' ' ' LEU . 0.3 OUTLIER -54.52 -16.95 2.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 111.039 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.411 ' N ' ' O ' ' A' ' 52' ' ' PHE . 18.2 tp60 -84.95 -0.48 54.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.5 ' HG3' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -128.27 -62.82 1.03 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.545 1.153 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.457 HG21 ' C ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -87.51 159.78 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.298 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 56.6 p -130.53 4.79 4.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.5 1.125 . . . . 0.0 110.005 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -96.9 174.88 30.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.488 1.117 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.403 ' O ' HG21 ' B' ' 118' ' ' VAL . 18.3 Cg_endo -74.99 -82.0 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.475 1.776 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.57 ' O ' ' CD2' ' A' ' 64' ' ' LEU . 14.8 mt-30 -59.16 -12.97 5.89 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.523 1.139 . . . . 0.0 110.283 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 65' ' ' SER . 0.6 OUTLIER -72.97 -17.63 61.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 110.367 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.712 ' HB1' HD11 ' B' ' 97' ' ' ILE . . . -64.32 -72.8 0.13 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.35 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.764 ' H ' HD13 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -60.6 -22.28 63.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.07 . . . . 0.0 109.282 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' ARG . 29.2 t -57.58 -56.93 15.55 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.128 . . . . 0.0 110.057 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' NE2' ' OE1' ' A' ' 56' ' ' GLU . 4.4 mm100 -64.88 -44.55 89.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 110.244 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.814 HD13 ' HB3' ' B' ' 93' ' ' GLN . 88.6 mt -67.47 -24.97 65.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 64' ' ' LEU . 8.0 tmm_? -66.51 -43.69 84.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.567 1.167 . . . . 0.0 110.29 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.19 -46.34 61.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.261 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.78 -49.42 76.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.886 ' HB3' HD13 ' B' ' 89' ' ' LEU . 31.2 m -54.23 -59.51 4.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 108.25 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.534 ' CG ' HD23 ' B' ' 86' ' ' LEU . 0.0 OUTLIER -46.79 -34.36 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.458 1.099 . . . . 0.0 110.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -81.61 -20.12 40.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.609 ' CE3' HD22 ' B' ' 89' ' ' LEU . 2.7 t90 -71.61 -55.21 8.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.009 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.874 ' CD2' HD22 ' A' ' 88' ' ' LEU . 39.6 mt -83.58 -59.17 2.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.563 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 25.43 65.69 0.46 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.285 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.459 ' HG2' ' HA ' ' A' ' 80' ' ' HIS . 18.3 Cg_endo -74.99 160.8 39.75 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.793 . . . . 0.0 111.021 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -86.44 -50.93 6.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.46 ' C ' ' N ' ' A' ' 81' ' ' THR . 5.2 mp -101.29 1.88 39.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.587 ' CD2' ' N ' ' A' ' 80' ' ' HIS . 0.2 OUTLIER 50.08 17.36 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.605 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.651 HG23 ' HB2' ' A' ' 83' ' ' GLU . 10.2 t -62.12 148.14 45.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 110.478 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 86' ' ' LEU . 0.0 OUTLIER -57.8 -8.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.348 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 81' ' ' THR . 45.4 mt-10 -67.83 -45.27 75.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 110.257 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.84 -40.5 63.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.285 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.913 HG22 HD13 ' B' ' 75' ' ' LEU . 10.1 mt -66.65 -62.72 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.789 ' O ' HD12 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -47.31 -45.08 24.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.531 ' O ' ' CG ' ' A' ' 91' ' ' MET . 1.3 tp10 -66.2 -25.59 67.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.281 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.874 HD22 ' CD2' ' A' ' 75' ' ' LEU . 0.1 OUTLIER -60.42 -59.7 4.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.601 1.188 . . . . 0.0 109.244 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.95 HD21 HD11 ' B' ' 75' ' ' LEU . 0.1 OUTLIER -74.08 -47.4 36.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.335 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.645 HG23 ' O ' ' A' ' 86' ' ' LEU . 47.2 t -50.08 -29.6 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.919 ' O ' HD22 ' A' ' 95' ' ' LEU . 1.5 mmt -74.09 -69.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.566 1.166 . . . . 0.0 111.005 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -46.15 -31.24 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 110.309 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.775 ' O ' HG22 ' A' ' 96' ' ' THR . 0.9 OUTLIER -80.25 -59.62 2.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.877 ' CE1' HG23 ' A' ' 118' ' ' VAL . 29.1 t80 -48.62 -21.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 1.161 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.919 HD22 ' O ' ' A' ' 91' ' ' MET . 0.0 OUTLIER -88.63 -42.03 12.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 93' ' ' GLN . 4.4 t -56.18 -33.72 65.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.521 1.138 . . . . 0.0 110.396 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.811 HD11 ' HB1' ' B' ' 63' ' ' ALA . 12.6 pt -74.99 -44.4 44.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.979 HD13 HG21 ' A' ' 121' ' ' VAL . 17.8 mt -67.57 161.01 69.32 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 98' ' ' LEU . 18.2 Cg_endo -74.99 -160.72 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -82.09 -21.99 36.5 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.333 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -45.94 -45.7 15.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 110.337 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 103' ' ' GLN . 2.2 pp -70.04 -40.97 79.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.638 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.2 mt-30 -57.69 -27.38 62.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.568 1.168 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.13 -51.62 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.69 -15.79 63.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.251 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.807 HG13 HD21 ' A' ' 111' ' ' LEU . 2.9 t -91.21 -45.95 14.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.366 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.37 -39.06 72.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 110.278 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 109' ' ' ARG . 14.9 t60 -54.23 -171.53 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.606 1.191 . . . . 0.0 109.646 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.441 ' H ' ' CD2' ' A' ' 108' ' ' HIS . 17.6 mtt180 -109.12 79.41 1.22 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.351 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 1.8 t -163.67 30.13 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.807 HD21 HG13 ' A' ' 106' ' ' VAL . 0.0 OUTLIER -69.92 144.03 52.54 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.145 . . . . 0.0 109.318 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.491 ' HE1' ' HB2' ' A' ' 116' ' ' GLU . 0.0 OUTLIER -164.16 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 111.073 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -128.77 165.82 20.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 110.05 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.597 ' HA ' HD13 ' A' ' 117' ' ' ILE . 32.2 p -81.68 -15.55 54.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 110.061 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 26.7 mttm -60.37 -41.96 94.81 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.491 ' HB2' ' HE1' ' A' ' 112' ' ' MET . 20.2 tt0 -62.24 -38.89 90.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.597 HD13 ' HA ' ' A' ' 114' ' ' SER . 2.2 mp -60.59 -60.24 2.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.877 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -57.27 -25.0 22.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.122 . . . . 0.0 109.315 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -49.09 50.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.555 1.16 . . . . 0.0 110.4 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -57.31 -47.92 80.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.33 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.979 HG21 HD13 ' A' ' 98' ' ' LEU . 56.8 t -63.87 -38.66 82.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' B' ' 60' ' ' PRO . 0.1 OUTLIER -61.25 -46.57 89.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 110.273 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.77 ' HA ' ' HB2' ' A' ' 127' ' ' ALA . 0.0 OUTLIER -63.1 -32.45 73.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -67.03 -40.25 87.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.152 . . . . 0.0 110.979 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.638 ' CD2' ' O ' ' A' ' 121' ' ' VAL . 13.0 m170 -64.98 -45.52 85.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.637 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 171.97 71.5 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.528 1.142 . . . . 0.0 110.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.77 ' HB2' ' HA ' ' A' ' 123' ' ' ASP . . . -53.99 131.04 39.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.57 33.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 110.029 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.15 -163.45 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.436 1.085 . . . . 0.0 109.301 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.32 70.03 12.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.49 37.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.452 1.764 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 2.1 m 62.68 165.14 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.012 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -158.73 162.01 37.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.345 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -174.82 157.44 2.45 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 m -122.76 118.16 28.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 108.333 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 117.08 4.79 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.49 162.83 37.45 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.722 ' HB2' HH21 ' B' ' 46' ' ' ARG . 18.3 Cg_endo -75.01 -49.45 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -68.0 -25.28 65.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.33 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.512 HD13 ' C ' ' B' ' 44' ' ' LEU . 1.7 tm? -75.67 -51.85 11.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . . . . . . . . . 1.2 m -61.82 -23.36 66.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 108.29 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.722 HH21 ' HB2' ' B' ' 42' ' ' PRO . 6.2 mtm180 -73.73 -65.95 0.76 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -65.91 -11.04 44.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.465 ' CB ' ' O ' ' B' ' 44' ' ' LEU . 13.6 t -81.34 -58.26 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 109.962 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.544 ' CE2' ' CD2' ' B' ' 67' ' ' LEU . 0.0 OUTLIER -70.14 -20.12 63.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 111.032 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.514 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -69.61 55.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.514 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 13.2 mtp85 156.95 50.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.602 ' O ' ' CB ' ' B' ' 53' ' ' CYS . 38.6 t80 -48.77 -54.02 16.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.168 . . . . 0.0 111.019 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . 0.602 ' CB ' ' O ' ' B' ' 52' ' ' PHE . 5.4 t 97.84 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 108.308 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.624 ' CE1' HD21 ' A' ' 98' ' ' LEU . 3.3 t80 -54.27 86.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 110.988 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' B' ' 53' ' ' CYS . 21.7 tt0 -114.3 33.16 5.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 51.91 100.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.561 ' O ' ' CB ' ' B' ' 58' ' ' SER . 0.0 OUTLIER -92.92 47.8 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.561 ' CB ' ' O ' ' B' ' 57' ' ' VAL . 1.4 t 90.77 -18.13 0.17 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.605 1.19 . . . . 0.0 109.984 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -176.73 -172.25 41.19 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . 0.464 ' HG3' ' CG ' ' A' ' 122' ' ' GLU . 18.2 Cg_endo -74.97 -72.14 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.447 1.762 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.653 ' HA ' HG21 ' A' ' 118' ' ' VAL . 19.9 tp60 -47.08 -24.84 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.556 ' CB ' HG23 ' B' ' 57' ' ' VAL . 38.4 mm-40 -54.06 -23.09 12.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.811 ' HB1' HD11 ' A' ' 97' ' ' ILE . . . -60.54 -54.35 46.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.594 HD23 HG12 ' A' ' 90' ' ' VAL . 1.9 mp -65.9 -26.42 67.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.505 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.4 OUTLIER -58.31 -60.75 3.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.42 -51.03 70.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.414 1.071 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.544 ' CD2' ' CE2' ' B' ' 49' ' ' PHE . 11.4 mt -56.84 -63.16 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.364 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.562 ' CB ' ' O ' ' B' ' 64' ' ' LEU . 1.3 ttt-85 -38.2 -37.68 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.406 ' O ' ' HG2' ' B' ' 72' ' ' ARG . 10.9 mt-30 -66.4 -47.92 71.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.554 1.159 . . . . 0.0 110.282 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' B' ' 67' ' ' LEU . 16.2 mt -69.42 -40.4 77.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.87 ' HB3' HD13 ' A' ' 89' ' ' LEU . 37.2 m -59.68 -62.31 1.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.167 . . . . 0.0 108.294 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.509 ' O ' ' CA ' ' B' ' 76' ' ' GLN . 4.7 ptt85 -48.5 -35.92 14.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.427 ' N ' ' HG2' ' B' ' 72' ' ' ARG . 17.6 mt-30 -78.7 -19.82 51.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.345 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.796 ' CE3' HD22 ' A' ' 89' ' ' LEU . 3.3 t90 -67.81 -57.51 6.17 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 107.987 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.991 HD22 HD12 ' B' ' 85' ' ' ILE . 0.1 OUTLIER -99.44 -56.48 2.39 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.455 1.097 . . . . 0.0 109.25 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.628 ' O ' ' CD2' ' B' ' 80' ' ' HIS . 0.1 OUTLIER 57.46 130.68 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 110.309 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.44 ' O ' ' HB2' ' B' ' 78' ' ' GLU . 18.3 Cg_endo -75.02 138.88 23.55 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.505 1.792 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' B' ' 77' ' ' PRO . 29.2 tt0 174.58 -26.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.917 HD22 ' O ' ' B' ' 79' ' ' LEU . 0.0 OUTLIER 174.45 -30.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.744 ' H ' ' CD2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -85.0 45.25 1.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.432 1.083 . . . . 0.0 109.562 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.893 HG23 ' HD3' ' B' ' 82' ' ' LYS . 4.3 t -61.33 -158.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.125 . . . . 0.0 110.453 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.893 ' HD3' HG23 ' B' ' 81' ' ' THR . 0.0 OUTLIER -32.85 -31.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.909 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.615 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.2 tm-20 -50.48 -61.57 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.49 ' CB ' ' HB2' ' B' ' 80' ' ' HIS . 0.0 OUTLIER -67.88 -34.36 76.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.31 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 0.991 HD12 HD22 ' B' ' 75' ' ' LEU . 1.5 mm -59.14 -61.38 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.449 1.093 . . . . 0.0 109.379 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.801 ' HA ' HD11 ' B' ' 89' ' ' LEU . 1.2 mp -46.82 -44.19 19.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.415 ' HA ' ' HB ' ' B' ' 90' ' ' VAL . 0.7 OUTLIER -71.89 -19.75 61.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.972 HD23 HD23 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -65.38 -59.85 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 0.0 109.345 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.886 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.1 OUTLIER -70.62 -41.41 72.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.753 HG23 ' O ' ' B' ' 86' ' ' LEU . 49.8 t -56.55 -38.0 54.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.544 ' HG3' HD21 ' B' ' 95' ' ' LEU . 0.6 OUTLIER -73.37 -71.58 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 110.928 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.547 ' HA ' HD22 ' B' ' 95' ' ' LEU . 1.2 tt0 -37.29 -36.17 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.814 ' HB3' HD13 ' A' ' 67' ' ' LEU . 1.2 mp0 -72.94 -59.47 2.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.534 1.146 . . . . 0.0 110.376 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.907 ' CE1' HG23 ' B' ' 118' ' ' VAL . 28.7 t80 -41.04 -26.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.779 ' N ' HD13 ' B' ' 95' ' ' LEU . 0.0 OUTLIER -82.32 -47.86 11.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.671 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.9 t -55.12 -33.27 62.72 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.542 1.151 . . . . 0.0 110.345 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.972 HG21 ' CB ' ' A' ' 53' ' ' CYS . 8.0 pt -72.28 -40.62 65.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.763 ' CD2' ' CE1' ' A' ' 54' ' ' TYR . 21.0 mt -74.65 160.76 80.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.445 1.091 . . . . 0.0 109.266 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' B' ' 98' ' ' LEU . 18.3 Cg_endo -74.95 -163.05 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.587 1.835 . . . . 0.0 111.043 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 1.0 OUTLIER -78.41 -22.4 47.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 110.246 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . 0.423 ' OE2' ' CE1' ' B' ' 124' ' ' PHE . 7.6 mm-40 -44.29 -48.31 9.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 110.286 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.847 HD12 ' N ' ' B' ' 103' ' ' GLN . 1.6 pp -69.67 -43.26 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.847 ' N ' HD12 ' B' ' 102' ' ' ILE . 1.7 mt-30 -56.6 -23.08 38.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.246 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' B' ' 108' ' ' HIS . . . -85.17 -49.43 8.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -14.33 62.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.49 -58.48 3.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.399 1.062 . . . . 0.0 109.281 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -49.7 -39.69 37.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.533 ' CD2' ' O ' ' B' ' 104' ' ' ALA . 38.3 m-70 -83.55 138.36 33.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.597 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' B' ' 110' ' ' CYS . 6.1 ptt180 -57.33 120.46 8.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . 0.498 ' CB ' ' O ' ' B' ' 109' ' ' ARG . 2.4 p 160.37 -29.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 108.299 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.11 163.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . 0.441 ' HG2' ' N ' ' B' ' 113' ' ' SER . 46.3 ttp -141.78 -83.03 0.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.506 1.129 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' B' ' 112' ' ' MET . 0.1 OUTLIER -131.66 155.07 48.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.98 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.435 ' HA ' HD13 ' B' ' 117' ' ' ILE . 96.1 p -46.1 -25.91 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 110.003 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 12.4 tttm -66.19 -44.59 83.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.359 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' B' ' 113' ' ' SER . 0.2 OUTLIER -62.44 -41.65 98.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.394 1.059 . . . . 0.0 110.297 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' B' ' 114' ' ' SER . 2.7 mp -57.95 -60.72 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.237 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.907 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.4 OUTLIER -56.21 -28.97 26.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.328 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -64.15 -43.41 95.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.354 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.617 HD21 HG22 ' B' ' 102' ' ' ILE . 0.2 OUTLIER -64.38 -41.55 96.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.614 HG21 HD13 ' B' ' 98' ' ' LEU . 0.9 OUTLIER -59.57 -38.79 77.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.546 1.154 . . . . 0.0 109.349 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.53 -49.25 60.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -60.68 -25.73 66.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.401 1.063 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . 0.423 ' CE1' ' OE2' ' B' ' 101' ' ' GLU . 15.6 t80 -77.94 -42.07 34.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.078 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.459 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 17.5 m170 -73.88 -18.01 60.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.577 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -89.75 -55.83 3.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 43.67 -154.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 3.2 t 72.87 40.43 0.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.927 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 76.37 106.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.248 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -163.43 90.58 1.17 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 158.6 42.08 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.505 1.792 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.309 179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -151.76 110.43 3.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.8 ttpp -153.55 123.76 7.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -56.28 116.76 3.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.165 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -54.62 -54.63 46.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 108.315 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 39' ' ' CYS . 18.3 Cg_endo -74.94 140.03 25.15 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.444 1.76 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.5 ' N ' ' CD ' ' A' ' 42' ' ' PRO . 0.2 OUTLIER 164.04 -52.5 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 41' ' ' ASP . 18.5 Cg_endo -74.99 55.0 3.8 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.465 1.771 . . . . 0.0 111.05 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 171.3 -32.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -74.49 -50.9 16.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 109.327 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 15.8 p -71.15 -27.78 63.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.268 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.415 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.9 tmm_? -67.41 -47.14 71.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -79.13 -27.52 42.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.318 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 46.0 t -63.62 -46.61 84.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.989 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.626 ' CZ ' ' HG2' ' B' ' 93' ' ' GLN . 0.1 OUTLIER -83.75 -40.61 18.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 110.995 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.492 ' HA ' ' CG ' ' B' ' 93' ' ' GLN . 0.0 OUTLIER -54.5 -31.94 57.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 2.0 ppt_? -89.34 23.41 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 110.345 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.665 ' CB ' HD21 ' A' ' 67' ' ' LEU . 6.5 t80 -40.17 -42.77 1.53 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' TYR . 26.7 p 37.92 69.6 0.23 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.44 1.088 . . . . 0.0 108.271 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.617 ' HA ' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER 25.81 46.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.11 . . . . 0.0 111.017 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 53' ' ' CYS . 1.3 tp60 -87.5 -79.74 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.307 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -34.6 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.281 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.633 HG21 ' HB3' ' A' ' 62' ' ' GLU . 17.9 m -96.04 159.13 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 0.0 109.244 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.1 p -114.89 -1.57 13.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.952 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.27 176.9 51.41 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.53 1.144 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.442 ' HB2' HG13 ' B' ' 118' ' ' VAL . 18.2 Cg_endo -75.02 -88.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.489 1.783 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -53.04 -20.21 3.36 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.452 1.095 . . . . 0.0 110.302 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.633 ' HB3' HG21 ' A' ' 57' ' ' VAL . 11.5 mt-10 -58.84 -33.37 70.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.233 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' B' ' 97' ' ' ILE . . . -58.31 -51.69 68.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.987 HD23 HG12 ' B' ' 90' ' ' VAL . 2.3 mp -68.08 -26.6 65.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' ' O ' ' A' ' 62' ' ' GLU . 20.2 m -57.27 -59.82 4.55 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -63.75 -48.57 76.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.665 HD21 ' CB ' ' A' ' 52' ' ' PHE . 96.5 mt -57.82 -65.93 0.56 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.105 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.872 ' HA ' HG22 ' B' ' 90' ' ' VAL . 11.4 ttm180 -40.01 -35.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 110.252 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -61.59 -48.78 79.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' HG ' ' CB ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -74.31 -33.79 63.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.924 ' HB3' HD13 ' B' ' 89' ' ' LEU . 67.9 m -61.38 -56.6 18.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.583 1.177 . . . . 0.0 108.351 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' HG3' HD21 ' B' ' 86' ' ' LEU . 1.4 ttt180 -57.21 -35.88 70.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.298 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -76.95 -17.21 59.04 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.661 ' CE3' HD22 ' B' ' 89' ' ' LEU . 0.7 OUTLIER -70.05 -56.67 6.33 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 1.005 HD13 ' CG2' ' B' ' 85' ' ' ILE . 0.3 OUTLIER -87.68 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' C ' ' O ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER 26.97 64.89 0.56 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.322 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.702 ' HG3' ' CD2' ' A' ' 80' ' ' HIS . 18.2 Cg_endo -74.96 -97.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.557 1.819 . . . . 0.0 110.925 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.631 ' O ' HD22 ' A' ' 79' ' ' LEU . 0.3 OUTLIER 176.23 33.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.631 HD22 ' O ' ' A' ' 78' ' ' GLU . 0.0 OUTLIER 172.28 -38.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.435 1.084 . . . . 0.0 109.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.971 ' NE2' HG21 ' B' ' 85' ' ' ILE . 1.2 m170 50.69 103.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.537 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.667 HG22 ' OE1' ' A' ' 84' ' ' GLN . 4.7 t -127.32 167.3 16.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.448 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 81' ' ' THR . 0.1 OUTLIER -38.28 -30.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 81' ' ' THR . 50.9 tt0 -58.61 -51.0 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.265 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.667 ' OE1' HG22 ' A' ' 81' ' ' THR . 22.6 mp0 -65.57 -39.44 91.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.976 ' CG2' HD13 ' B' ' 75' ' ' LEU . 0.6 OUTLIER -57.61 -57.02 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.919 HD21 ' HB2' ' B' ' 72' ' ' ARG . 7.1 mp -54.13 -63.2 1.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 91' ' ' MET . 0.2 OUTLIER -40.85 -35.5 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.511 ' CD1' HD21 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -55.45 -72.36 0.07 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 1.03 HD21 HD11 ' B' ' 75' ' ' LEU . 0.0 OUTLIER -68.74 -41.44 78.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.165 . . . . 0.0 109.237 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.89 HG12 HD23 ' B' ' 64' ' ' LEU . 53.9 t -52.38 -36.85 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.552 ' HG3' HD21 ' A' ' 95' ' ' LEU . 0.2 OUTLIER -68.25 -72.95 0.16 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.403 ' HA ' HD22 ' A' ' 95' ' ' LEU . 0.9 OUTLIER -38.23 -40.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.571 1.17 . . . . 0.0 110.283 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.661 ' O ' HG22 ' A' ' 96' ' ' THR . 1.9 tm0? -75.21 -53.91 8.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PHE . . . . . 0.932 ' CE1' HG23 ' A' ' 118' ' ' VAL . 31.9 t80 -43.25 -24.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -85.82 -43.45 13.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.269 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.661 HG22 ' O ' ' A' ' 93' ' ' GLN . 3.1 t -58.73 -30.95 67.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 110.333 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.874 HG21 HD11 ' B' ' 67' ' ' LEU . 1.0 OUTLIER -76.63 -33.07 21.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.257 -179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.657 HD11 ' CE1' ' A' ' 94' ' ' PHE . 37.2 mt -89.69 160.9 40.48 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.518 ' O ' ' CD1' ' A' ' 102' ' ' ILE . 18.3 Cg_endo -74.99 -160.8 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.461 1.769 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -84.96 -0.7 55.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -56.43 -51.65 67.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.376 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.695 ' HA ' HD21 ' A' ' 120' ' ' LEU . 0.2 OUTLIER -61.04 -35.76 67.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.492 ' H ' HD13 ' A' ' 102' ' ' ILE . 4.0 tt0 -66.06 -31.23 72.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.14 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -70.73 -49.0 51.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.406 ' NH1' ' HG3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -70.96 -21.36 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.495 1.122 . . . . 0.0 110.334 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.801 ' CG2' HD12 ' A' ' 111' ' ' LEU . 2.2 t -73.26 -45.26 53.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 108' ' ' HIS . 0.6 OUTLIER -79.89 -20.84 44.87 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.571 1.169 . . . . 0.0 110.276 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 107' ' ' ARG . 15.8 t-160 -91.06 -61.4 1.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.588 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.406 ' HG3' ' NH1' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -89.84 173.3 8.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.259 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 42.0 t -103.09 96.1 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 108.276 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.853 HD13 HG13 ' A' ' 117' ' ' ILE . 8.3 mt -99.88 163.5 12.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.07 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.537 ' N ' ' SD ' ' A' ' 112' ' ' MET . 0.0 OUTLIER -157.64 -37.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.501 1.126 . . . . 0.0 110.91 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.508 ' N ' ' HG2' ' A' ' 112' ' ' MET . 54.9 p -107.57 133.81 51.48 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 1.097 . . . . 0.0 109.975 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.47 -18.07 10.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.977 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -63.93 -49.45 72.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.297 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.91 -41.46 91.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.328 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.853 HG13 HD13 ' A' ' 111' ' ' LEU . 3.2 mp -63.06 -62.14 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.932 HG23 ' CE1' ' A' ' 94' ' ' PHE . 0.4 OUTLIER -49.96 -27.48 3.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.517 1.136 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.12 -44.76 64.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.376 1.047 . . . . 0.0 110.391 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' A' ' 102' ' ' ILE . 0.3 OUTLIER -58.66 -44.43 90.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.316 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.68 HG12 ' CE1' ' A' ' 125' ' ' HIS . 45.4 t -64.46 -41.19 91.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.451 1.095 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 127' ' ' ALA . 23.3 tt0 -62.3 -40.81 97.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.437 ' HA ' ' CA ' ' A' ' 127' ' ' ALA . 20.5 t0 -65.4 -51.31 61.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -47.91 -54.59 12.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 111.042 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.68 ' CE1' HG12 ' A' ' 121' ' ' VAL . 8.9 m170 -55.16 -52.39 63.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.586 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.508 ' O ' ' C ' ' A' ' 127' ' ' ALA . 0.9 OUTLIER 166.24 39.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 110.249 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' C ' ' O ' ' A' ' 126' ' ' ARG . . . 32.15 -102.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.148 . . . . 0.0 109.356 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 129' ' ' LYS . 13.3 t 40.29 67.73 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.56 1.163 . . . . 0.0 110.091 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.54 ' O ' ' CB ' ' A' ' 130' ' ' LYS . 0.7 OUTLIER 163.61 -168.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.313 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.54 ' CB ' ' O ' ' A' ' 129' ' ' LYS . 7.7 tttp 160.7 -50.41 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.53 ' CD ' ' N ' ' A' ' 130' ' ' LYS . 18.1 Cg_endo -74.99 164.61 33.03 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.549 1.815 . . . . 0.0 111.011 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.34 138.78 3.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 0.732 . . . . 0.0 109.981 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -119.65 155.1 32.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.338 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -157.16 138.02 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' CYS . . . . . . . . . . . . . 3.8 m -125.28 92.8 46.45 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 108.285 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 160.27 40.27 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.493 1.786 . . . . 0.0 111.004 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . 0.502 ' CB ' ' HD3' ' B' ' 42' ' ' PRO . 0.4 OUTLIER -69.89 -52.75 12.72 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.368 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' PRO . . . . . 0.502 ' HD3' ' CB ' ' B' ' 41' ' ' ASP . 18.2 Cg_endo -75.04 108.55 2.74 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.576 1.829 . . . . 0.0 111.019 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.422 ' O ' ' CB ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER 166.8 69.17 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.4 1.062 . . . . 0.0 110.267 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.661 HD13 ' N ' ' B' ' 45' ' ' CYS . 0.8 OUTLIER -73.92 -58.85 3.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.34 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' CYS . . . . . 0.661 ' N ' HD13 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -70.46 -39.16 74.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 108.306 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ARG . . . . . 0.438 ' O ' ' N ' ' B' ' 50' ' ' ARG . 14.2 mtm180 -60.52 -38.2 83.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.351 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.422 ' CB ' ' O ' ' B' ' 43' ' ' GLU . 9.2 tp60 -74.31 -45.95 44.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 13.0 t -47.11 -47.96 23.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.991 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' PHE . . . . . 0.621 ' CD2' ' HG3' ' A' ' 93' ' ' GLN . 4.4 m-85 -100.75 -67.72 0.84 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.676 ' O ' ' CB ' ' B' ' 51' ' ' ARG . 1.9 mtt180 155.34 -58.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.543 1.152 . . . . 0.0 110.306 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.676 ' CB ' ' O ' ' B' ' 50' ' ' ARG . 0.0 OUTLIER 142.34 74.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.303 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' PHE . . . . . 0.546 ' HB3' ' CG2' ' A' ' 97' ' ' ILE . 2.6 t80 -55.91 -65.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 t 53.03 52.55 13.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.233 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.608 ' CD1' HG11 ' B' ' 57' ' ' VAL . 0.1 OUTLIER 51.84 41.71 29.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 111.009 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -71.9 -79.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 110.201 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.56 ' O ' ' C ' ' B' ' 57' ' ' VAL . 2.8 tt0 -74.96 -31.15 61.4 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.707 HG23 ' HA ' ' B' ' 63' ' ' ALA . 0.5 OUTLIER -26.7 117.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.605 1.191 . . . . 0.0 109.251 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.3 11.13 38.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.058 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . -175.64 -154.55 11.53 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.506 1.129 . . . . 0.0 111.029 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 -80.73 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.537 1.809 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' GLN . . . . . 0.877 ' HA ' HG21 ' A' ' 118' ' ' VAL . 1.5 tm0? -60.54 -12.8 10.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLU . . . . . 0.466 ' HA ' ' HB2' ' B' ' 65' ' ' SER . 0.1 OUTLIER -47.56 -24.44 0.87 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.514 1.134 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ALA . . . . . 0.707 ' HA ' HG23 ' B' ' 57' ' ' VAL . . . -61.51 -58.81 6.67 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.89 HD23 HG12 ' A' ' 90' ' ' VAL . 2.3 mp -61.13 -27.86 68.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.339 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.466 ' HB2' ' HA ' ' B' ' 62' ' ' GLU . 0.5 OUTLIER -53.84 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.589 1.181 . . . . 0.0 110.009 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.475 ' HB3' ' CE1' ' B' ' 52' ' ' PHE . 0.5 OUTLIER -60.23 -54.35 46.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.313 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.874 HD11 HG21 ' A' ' 97' ' ' ILE . 78.3 mt -52.67 -62.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ARG . . . . . 0.783 ' HG3' HD23 ' A' ' 86' ' ' LEU . 6.2 ttt85 -39.42 -37.14 0.43 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 110.28 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -64.41 -46.85 81.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.312 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' LEU . . . . . 0.482 ' N ' ' O ' ' B' ' 67' ' ' LEU . 0.4 OUTLIER -74.14 -36.55 64.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' CYS . . . . . 0.657 ' CB ' HD13 ' A' ' 89' ' ' LEU . 2.0 m -55.29 -57.23 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 108.309 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.919 ' HB2' HD21 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -59.86 -38.74 83.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLN . . . . . 0.428 ' O ' ' NE2' ' B' ' 76' ' ' GLN . 0.5 OUTLIER -72.05 -10.06 59.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.31 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' TRP . . . . . 0.919 ' CE3' HD22 ' A' ' 89' ' ' LEU . 0.9 OUTLIER -86.3 -54.9 4.17 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 107.978 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 1.03 HD11 HD21 ' A' ' 89' ' ' LEU . 1.0 OUTLIER -88.06 -65.66 0.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -180.0 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . 0.57 ' N ' ' HD3' ' B' ' 77' ' ' PRO . 3.6 pt20 39.86 55.43 6.42 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' PRO . . . . . 0.57 ' HD3' ' N ' ' B' ' 76' ' ' GLN . 18.6 Cg_endo -74.96 -172.0 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.57 1.826 . . . . 0.0 111.014 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -116.44 -23.85 8.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . 0.658 ' O ' ' C ' ' B' ' 80' ' ' HIS . 4.5 mp -106.48 -8.29 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' HIS . . . . . 0.658 ' C ' ' O ' ' B' ' 79' ' ' LEU . 0.7 OUTLIER 12.46 62.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.149 . . . . 0.0 109.57 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.585 ' O ' ' N ' ' B' ' 83' ' ' GLU . 7.4 t -124.74 176.15 6.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' LYS . . . . . 0.467 ' HG2' ' HB2' ' A' ' 80' ' ' HIS . 0.4 OUTLIER -35.74 -28.65 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.585 ' N ' ' O ' ' B' ' 81' ' ' THR . 1.3 tp10 -58.51 -54.96 41.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.705 ' HB2' HD11 ' A' ' 85' ' ' ILE . 89.9 mm-40 -68.12 -48.23 65.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.28 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' ILE . . . . . 1.005 ' CG2' HD13 ' A' ' 75' ' ' LEU . 0.7 OUTLIER -54.0 -61.43 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.536 1.148 . . . . 0.0 109.362 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . 0.572 ' O ' HG23 ' B' ' 90' ' ' VAL . 0.2 OUTLIER -47.31 -66.5 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' B' ' 91' ' ' MET . 2.1 tt0 -40.83 -35.03 0.45 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.436 1.085 . . . . 0.0 110.29 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.67 HD11 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -55.87 -68.07 0.24 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . 0.924 HD13 ' HB3' ' A' ' 71' ' ' CYS . 0.0 OUTLIER -61.89 -50.13 73.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.314 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' VAL . . . . . 0.987 HG12 HD23 ' A' ' 64' ' ' LEU . 57.9 t -45.8 -37.36 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' MET . . . . . 0.931 ' C ' HD22 ' B' ' 95' ' ' LEU . 0.7 OUTLIER -69.18 -71.97 0.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.076 . . . . 0.0 111.023 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' GLU . . . . . 0.425 ' N ' HD22 ' B' ' 95' ' ' LEU . 24.2 mt-10 -37.76 -39.66 0.37 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' GLN . . . . . 0.653 ' O ' HG22 ' B' ' 96' ' ' THR . 0.2 OUTLIER -78.37 -63.61 1.36 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.438 1.086 . . . . 0.0 110.332 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' PHE . . . . . 0.773 ' CE1' HG23 ' B' ' 118' ' ' VAL . 59.9 t80 -44.17 -24.22 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.4 1.062 . . . . 0.0 111.003 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' LEU . . . . . 0.931 HD22 ' C ' ' B' ' 91' ' ' MET . 0.0 OUTLIER -84.43 -41.17 16.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 109.216 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' THR . . . . . 0.653 HG22 ' O ' ' B' ' 93' ' ' GLN . 3.3 t -65.02 -28.73 69.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.465 1.103 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ILE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 63' ' ' ALA . 3.7 pt -76.69 -43.34 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' B' ' 94' ' ' PHE . 47.7 mt -73.82 161.49 78.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' PRO . . . . . 0.557 ' O ' ' CD1' ' B' ' 102' ' ' ILE . 18.2 Cg_endo -75.03 -158.67 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.51 1.795 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' B' ' 103' ' ' GLN . 0.6 OUTLIER -88.67 -19.2 26.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.371 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -48.75 -49.47 38.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ILE . . . . . 0.851 HD13 ' H ' ' B' ' 103' ' ' GLN . 0.1 OUTLIER -69.14 -35.85 70.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.56 1.162 . . . . 0.0 109.279 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' GLN . . . . . 0.851 ' H ' HD13 ' B' ' 102' ' ' ILE . 1.7 mm-40 -60.45 -27.24 67.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ALA . . . . . . . . . . . . . . . -81.58 -49.86 10.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.105 . . . . 0.0 109.26 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -28.53 70.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 110.364 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' VAL . . . . . 0.426 HG12 ' HA ' ' B' ' 103' ' ' GLN . 0.8 OUTLIER -85.38 -44.08 17.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 109.271 -179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ARG . . . . . 0.419 ' C ' ' CD ' ' B' ' 107' ' ' ARG . 0.0 OUTLIER -50.77 -40.68 55.67 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.3 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' HIS . . . . . 0.419 ' O ' ' O ' ' B' ' 107' ' ' ARG . 0.1 OUTLIER -53.65 -170.67 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.462 1.101 . . . . 0.0 109.619 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -110.64 101.54 10.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.277 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 170.64 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 108.267 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' LEU . . . . . 0.401 HD21 ' O ' ' B' ' 106' ' ' VAL . 3.5 mm? -71.11 136.54 48.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.093 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.26 -83.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.33 145.3 51.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.97 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' SER . . . . . 0.673 ' HA ' HD13 ' B' ' 117' ' ' ILE . 5.3 m -67.85 -8.75 38.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 110.016 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -61.46 -47.68 84.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.553 1.158 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -62.02 -34.05 75.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 110.354 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' ILE . . . . . 0.673 HD13 ' HA ' ' B' ' 114' ' ' SER . 1.7 mp -63.22 -67.45 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' VAL . . . . . 0.773 HG23 ' CE1' ' B' ' 94' ' ' PHE . 0.3 OUTLIER -51.39 -27.55 7.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -45.62 78.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.397 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LEU . . . . . 0.668 HD21 ' HA ' ' B' ' 102' ' ' ILE . 0.2 OUTLIER -61.85 -42.76 99.44 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.655 HG21 HD22 ' B' ' 98' ' ' LEU . 0.8 OUTLIER -62.58 -38.57 81.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.69 -38.96 87.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.18 -31.14 70.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.93 -30.3 31.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' HIS . . . . . 0.624 ' CD2' ' O ' ' B' ' 121' ' ' VAL . 18.8 m170 -81.56 -21.2 38.6 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.588 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.04 -59.37 1.86 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 110.349 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' ALA . . . . . . . . . . . . . . . 44.59 -160.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.301 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 8.5 t 71.65 27.55 2.92 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.541 1.15 . . . . 0.0 110.021 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 79.25 123.19 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.9 92.0 3.38 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 144.54 30.62 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.468 1.773 . . . . 0.0 110.972 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.3 tttp . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 -179.987 . . . . . . . . 0 0 . 1 stop_ save_